2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate

C170H163N35O74 — CID 158773329

IUPAC2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCCCCCCOc1nc(C(=O)Nc2ccc(C(=O)OC)nc2OCC(=O)O)ccc1[N+](=O)[O-].COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC3CCCCC3)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCC(C)C)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCCN3C(=O)c4ccccc4C3=O)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCCN3C(=O)c4ccccc4C3=O)n2)c(OCCCN)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(OCC(=O)O)n1
InChIInChI=1S/C27H26N6O9.C26H21N5O11.C22H18N4O9.C21H22N4O9.C21H24N4O9.C19H20N4O9.C18H18N4O9.C16H14N4O9/c1-40-27(37)20-9-8-19(23(31-20)41-14-4-12-28)29-22(34)18-10-11-21(33(38)39)24(30-18)42-15-5-13-32-25(35)16-6-2-3-7-17(16)26(32)36;1-40-26(37)18-8-7-17(22(29-18)42-13-20(32)33)27-21(34)16-9-10-19(31(38)39)23(28-16)41-12-4-11-30-24(35)14-5-2-3-6-15(14)25(30)36;1-33-22(30)16-8-7-15(20(25-16)35-12-18(27)28)23-19(29)14-9-10-17(26(31)32)21(24-14)34-11-13-5-3-2-4-6-13;1-32-21(29)15-8-7-14(19(24-15)33-11-17(26)27)22-18(28)13-9-10-16(25(30)31)20(23-13)34-12-5-3-2-4-6-12;1-3-4-5-6-11-33-20-16(25(30)31)10-9-13(23-20)18(28)22-14-7-8-15(21(29)32-2)24-19(14)34-12-17(26)27;1-10(2)8-31-18-14(23(28)29)7-6-11(21-18)16(26)20-12-4-5-13(19(27)30-3)22-17(12)32-9-15(24)25;1-9(2)31-17-13(22(27)28)7-6-10(20-17)15(25)19-11-4-5-12(18(26)29-3)21-16(11)30-8-14(23)24;1-27-15-11(20(25)26)6-5-8(18-15)13(23)17-9-3-4-10(16(24)28-2)19-14(9)29-7-12(21)22/h2-3,6-11H,4-5,12-15,28H2,1H3,(H,29,34);2-3,5-10H,4,11-13H2,1H3,(H,27,34)(H,32,33);2-10H,11-12H2,1H3,(H,23,29)(H,27,28);7-10,12H,2-6,11H2,1H3,(H,22,28)(H,26,27);7-10H,3-6,11-12H2,1-2H3,(H,22,28)(H,26,27);4-7,10H,8-9H2,1-3H3,(H,20,26)(H,24,25);4-7,9H,8H2,1-3H3,(H,19,25)(H,23,24);3-6H,7H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyIQDPOAALKJSCNW-UHFFFAOYSA-N
MW3880.34 g/mol
LogP16.57
Rot. Bonds84

About 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate

2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 158773329) has the molecular formula C170H163N35O74 and a molecular weight of 3880.34 g/mol. Its IUPAC name is 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate
PubChem CID158773329
Molecular FormulaC170H163N35O74
Molecular Weight3880.34 g/mol
Exact Mass3878.01
IUPAC Name2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCCCCCCOc1nc(C(=O)Nc2ccc(C(=O)OC)nc2OCC(=O)O)ccc1[N+](=O)[O-].COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC3CCCCC3)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCC(C)C)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCCN3C(=O)c4ccccc4C3=O)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCCN3C(=O)c4ccccc4C3=O)n2)c(OCCCN)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(OCC(=O)O)n1
InChIInChI=1S/C27H26N6O9.C26H21N5O11.C22H18N4O9.C21H22N4O9.C21H24N4O9.C19H20N4O9.C18H18N4O9.C16H14N4O9/c1-40-27(37)20-9-8-19(23(31-20)41-14-4-12-28)29-22(34)18-10-11-21(33(38)39)24(30-18)42-15-5-13-32-25(35)16-6-2-3-7-17(16)26(32)36;1-40-26(37)18-8-7-17(22(29-18)42-13-20(32)33)27-21(34)16-9-10-19(31(38)39)23(28-16)41-12-4-11-30-24(35)14-5-2-3-6-15(14)25(30)36;1-33-22(30)16-8-7-15(20(25-16)35-12-18(27)28)23-19(29)14-9-10-17(26(31)32)21(24-14)34-11-13-5-3-2-4-6-13;1-32-21(29)15-8-7-14(19(24-15)33-11-17(26)27)22-18(28)13-9-10-16(25(30)31)20(23-13)34-12-5-3-2-4-6-12;1-3-4-5-6-11-33-20-16(25(30)31)10-9-13(23-20)18(28)22-14-7-8-15(21(29)32-2)24-19(14)34-12-17(26)27;1-10(2)8-31-18-14(23(28)29)7-6-11(21-18)16(26)20-12-4-5-13(19(27)30-3)22-17(12)32-9-15(24)25;1-9(2)31-17-13(22(27)28)7-6-10(20-17)15(25)19-11-4-5-12(18(26)29-3)21-16(11)30-8-14(23)24;1-27-15-11(20(25)26)6-5-8(18-15)13(23)17-9-3-4-10(16(24)28-2)19-14(9)29-7-12(21)22/h2-3,6-11H,4-5,12-15,28H2,1H3,(H,29,34);2-3,5-10H,4,11-13H2,1H3,(H,27,34)(H,32,33);2-10H,11-12H2,1H3,(H,23,29)(H,27,28);7-10,12H,2-6,11H2,1H3,(H,22,28)(H,26,27);7-10H,3-6,11-12H2,1-2H3,(H,22,28)(H,26,27);4-7,10H,8-9H2,1-3H3,(H,20,26)(H,24,25);4-7,9H,8H2,1-3H3,(H,19,25)(H,23,24);3-6H,7H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyIQDPOAALKJSCNW-UHFFFAOYSA-N
XLogP16.57
TPSA1504.12 Ų
H-Bond Donors16
H-Bond Acceptors84
Rotatable Bonds84
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003880.34
LogP ≤ 516.57
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1084

Analyze 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[[3-[[5-[[5-amino-6-(3-aminopropoxy)pyridine-2-carbonyl]amino]-6-(2-methylpropoxy)pyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[5-[[5-amino-6-(3-aminopropoxy)pyridine-2-carbonyl]amino]-6-phenylmethoxypyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[5-[[5-amino-6-(3-aminopropoxy)pyridine-2-carbonyl]amino]-6-propan-2-yloxypyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-[[2-(carboxymethoxy)-6-methoxycarbonyl-3-pyridinyl]carbamoyl]-3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-[[2-(carboxymethoxy)-6-methoxycarbonyl-3-pyridinyl]carbamoyl]-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[5-[[6-(3-aminopropoxy)-5-nitropyridine-2-carbonyl]amino]-6-phenylmethoxypyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[5-[(6-butoxy-5-nitropyridine-2-carbonyl)amino]-6-phenylmethoxypyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[5-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-6-phenylmethoxypyridine-2-carbonyl]amino]pyridine-2-carboxylate
CID 157285917
methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(6-butoxy-5-nitropyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(6-ethoxy-5-nitropyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[5-[(6-butoxy-5-nitropyridine-2-carbonyl)amino]-6-phenylmethoxypyridine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]pyridine-2-carboxylate;methyl 6-(3-aminopropoxy)-5-[[5-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-6-phenylmethoxypyridine-2-carbonyl]amino]pyridine-2-carboxylate
CID 158501824
2-[[6-[[2-(carboxymethoxy)-6-methoxycarbonyl-3-pyridinyl]carbamoyl]-3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid
CID 135131856
2-[[6-[[2-(carboxymethoxy)-6-methoxycarbonyl-3-pyridinyl]carbamoyl]-3-[[5-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-6-phenylmethoxypyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;methyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-[[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-[[5-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-6-phenylmethoxypyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
CID 158640173
2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid
CID 135131665
6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-nitropyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 171358404
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
methyl 6-(3-methoxypropoxy)-5-nitropyridine-2-carboxylate
CID 114403240
2-[5-[(1S,2S,3R,4S,5R,6R)-2,3-dihydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl]oxypentyl]isoindole-1,3-dione
CID 67662095
3-(2-hexoxyphenoxy)propan-1-amine;2-[3-(2-hexoxyphenoxy)propyl]isoindole-1,3-dione
CID 159194160
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
methyl 5-nitro-6-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 114403273

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate (CID 158773329) is 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate is CCCCCCOc1nc(C(=O)Nc2ccc(C(=O)OC)nc2OCC(=O)O)ccc1[N+](=O)[O-].COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC3CCCCC3)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCC(C)C)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCCN3C(=O)c4ccccc4C3=O)n2)c(OCC(=O)O)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCCN3C(=O)c4ccccc4C3=O)n2)c(OCCCN)n1.COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(OCC(=O)O)n1.
What is the InChIKey of 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is IQDPOAALKJSCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O9.C26H21N5O11.C22H18N4O9.C21H22N4O9.C21H24N4O9.C19H20N4O9.C18H18N4O9.C16H14N4O9/c1-40-27(37)20-9-8-19(23(31-20)41-14-4-12-28)29-22(34)18-10-11-21(33(38)39)24(30-18)42-15-5-13-32-25(35)16-6-2-3-7-17(16)26(32)36;1-40-26(37)18-8-7-17(22(29-18)42-13-20(32)33)27-21(34)16-9-10-19(31(38)39)23(28-16)41-12-4-11-30-24(35)14-5-2-3-6-15(14)25(30)36;1-33-22(30)16-8-7-15(20(25-16)35-12-18(27)28)23-19(29)14-9-10-17(26(31)32)21(24-14)34-11-13-5-3-2-4-6-13;1-32-21(29)15-8-7-14(19(24-15)33-11-17(26)27)22-18(28)13-9-10-16(25(30)31)20(23-13)34-12-5-3-2-4-6-12;1-3-4-5-6-11-33-20-16(25(30)31)10-9-13(23-20)18(28)22-14-7-8-15(21(29)32-2)24-19(14)34-12-17(26)27;1-10(2)8-31-18-14(23(28)29)7-6-11(21-18)16(26)20-12-4-5-13(19(27)30-3)22-17(12)32-9-15(24)25;1-9(2)31-17-13(22(27)28)7-6-10(20-17)15(25)19-11-4-5-12(18(26)29-3)21-16(11)30-8-14(23)24;1-27-15-11(20(25)26)6-5-8(18-15)13(23)17-9-3-4-10(16(24)28-2)19-14(9)29-7-12(21)22/h2-3,6-11H,4-5,12-15,28H2,1H3,(H,29,34);2-3,5-10H,4,11-13H2,1H3,(H,27,34)(H,32,33);2-10H,11-12H2,1H3,(H,23,29)(H,27,28);7-10,12H,2-6,11H2,1H3,(H,22,28)(H,26,27);7-10H,3-6,11-12H2,1-2H3,(H,22,28)(H,26,27);4-7,10H,8-9H2,1-3H3,(H,20,26)(H,24,25);4-7,9H,8H2,1-3H3,(H,19,25)(H,23,24);3-6H,7H2,1-2H3,(H,17,23)(H,21,22).
What are the key properties of 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate?
2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 3880.34 g/mol, XLogP of 16.57, 84 rotatable bonds, 16 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(6-cyclohexyloxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[3-[(6-hexoxy-5-nitropyridine-2-carbonyl)amino]-6-methoxycarbonyl-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[[6-(2-methylpropoxy)-5-nitropyridine-2-carbonyl]amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-phenylmethoxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;2-[[6-methoxycarbonyl-3-[(5-nitro-6-propan-2-yloxypyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid;methyl 6-(3-aminopropoxy)-5-[[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-nitropyridine-2-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 158773329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).