7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

C102H117F4N17O17 — CID 159986298

IUPAC7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)C)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)CC#N)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC(C)(C)CO)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O
InChIInChI=1S/C27H33FN4O5.C26H28FN5O4.C25H29FN4O4.C24H27FN4O4/c1-5-10-29-25(36)22-24(35)23-20(32(4)26(22)37)12-16(14-30-23)11-17-6-8-19(28)13-18(17)7-9-21(34)31-27(2,3)15-33;1-4-10-29-25(35)22-24(34)23-20(32(3)26(22)36)13-16(15-30-23)12-17-5-7-19(27)14-18(17)6-8-21(33)31(2)11-9-28;1-5-10-27-24(33)21-23(32)22-19(30(4)25(21)34)12-15(14-28-22)11-16-6-8-18(26)13-17(16)7-9-20(31)29(2)3;1-4-9-27-23(32)20-22(31)21-18(29(3)24(20)33)11-14(13-28-21)10-15-5-7-17(25)12-16(15)6-8-19(30)26-2/h6,8,12-14,33,35H,5,7,9-11,15H2,1-4H3,(H,29,36)(H,31,34);5,7,13-15,34H,4,6,8,10-12H2,1-3H3,(H,29,35);6,8,12-14,32H,5,7,9-11H2,1-4H3,(H,27,33);5,7,11-13,31H,4,6,8-10H2,1-3H3,(H,26,30)(H,27,32)
InChIKeyOGJMGCZFDFBVSL-UHFFFAOYSA-N
MW1929.15 g/mol
LogP9.47
Rot. Bonds35

About 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide

7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (PubChem CID 159986298) has the molecular formula C102H117F4N17O17 and a molecular weight of 1929.15 g/mol. Its IUPAC name is 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
PubChem CID159986298
Molecular FormulaC102H117F4N17O17
Molecular Weight1929.15 g/mol
Exact Mass1927.87
IUPAC Name7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)C)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)CC#N)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC(C)(C)CO)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O
InChIInChI=1S/C27H33FN4O5.C26H28FN5O4.C25H29FN4O4.C24H27FN4O4/c1-5-10-29-25(36)22-24(35)23-20(32(4)26(22)37)12-16(14-30-23)11-17-6-8-19(28)13-18(17)7-9-21(34)31-27(2,3)15-33;1-4-10-29-25(35)22-24(34)23-20(32(3)26(22)36)13-16(15-30-23)12-17-5-7-19(27)14-18(17)6-8-21(33)31(2)11-9-28;1-5-10-27-24(33)21-23(32)22-19(30(4)25(21)34)12-15(14-28-22)11-16-6-8-18(26)13-17(16)7-9-20(31)29(2)3;1-4-9-27-23(32)20-22(31)21-18(29(3)24(20)33)11-14(13-28-21)10-15-5-7-17(25)12-16(15)6-8-19(30)26-2/h6,8,12-14,33,35H,5,7,9-11,15H2,1-4H3,(H,29,36)(H,31,34);5,7,13-15,34H,4,6,8,10-12H2,1-3H3,(H,29,35);6,8,12-14,32H,5,7,9-11H2,1-4H3,(H,27,33);5,7,11-13,31H,4,6,8-10H2,1-3H3,(H,26,30)(H,27,32)
InChIKeyOGJMGCZFDFBVSL-UHFFFAOYSA-N
XLogP9.47
TPSA479.72 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.15
LogP ≤ 59.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide (CID 159986298) is 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)C)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)N(C)CC#N)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC(C)(C)CO)cc2n(C)c1=O.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O.
What is the InChIKey of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
The InChIKey is OGJMGCZFDFBVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O5.C26H28FN5O4.C25H29FN4O4.C24H27FN4O4/c1-5-10-29-25(36)22-24(35)23-20(32(4)26(22)37)12-16(14-30-23)11-17-6-8-19(28)13-18(17)7-9-21(34)31-27(2,3)15-33;1-4-10-29-25(35)22-24(34)23-20(32(3)26(22)36)13-16(15-30-23)12-17-5-7-19(27)14-18(17)6-8-21(33)31(2)11-9-28;1-5-10-27-24(33)21-23(32)22-19(30(4)25(21)34)12-15(14-28-22)11-16-6-8-18(26)13-17(16)7-9-20(31)29(2)3;1-4-9-27-23(32)20-22(31)21-18(29(3)24(20)33)11-14(13-28-21)10-15-5-7-17(25)12-16(15)6-8-19(30)26-2/h6,8,12-14,33,35H,5,7,9-11,15H2,1-4H3,(H,29,36)(H,31,34);5,7,13-15,34H,4,6,8,10-12H2,1-3H3,(H,29,35);6,8,12-14,32H,5,7,9-11H2,1-4H3,(H,27,33);5,7,11-13,31H,4,6,8-10H2,1-3H3,(H,26,30)(H,27,32).
What are the key properties of 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide?
7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide has a molecular weight of 1929.15 g/mol, XLogP of 9.47, 35 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[3-[cyanomethyl(methyl)amino]-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[2-[3-(dimethylamino)-3-oxopropyl]-4-fluorophenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 159986298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).