6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide

C148H139N31O29S4 — CID 159208186

IUPAC6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
SMILESC/C(CC(=O)O)=N\c1ccccc1/N=C(\C)CC(=O)O.CC(=O)c1cccc(Cc2cccc(C(=O)O)n2)n1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1.CC(C)c1cccc(-c2ccc(Cc3ccc(-c4cccc(C(C)C)n4)[nH]3)[nH]2)n1.Cc1cc(C(=O)O)nn1Cn1nc(C(=O)O)cc1C.O=C(O)c1cccc(Cc2cccc(-c3ccccn3)n2)n1.O=C(O)c1cccc(Cc2cccc(C(=O)O)n2)n1.O=S(=O)(NS(=O)(=O)c1cccc(-c2ccccn2)n1)c1ccccn1.O=S(=O)(NS(=O)(=O)c1ccccn1)c1ccccn1.c1ccc(Cc2n[nH]c(Cc3ccccn3)n2)nc1
InChIInChI=1S/C25H28N4.C17H13N3O2.C15H12N4O4S2.C15H14N2O4.C14H13N5.C14H16N2O4.C14H12N2O3.C13H10N2O4.C11H12N4O4.C10H9N3O4S2/c1-16(2)20-7-5-9-22(28-20)24-13-11-18(26-24)15-19-12-14-25(27-19)23-10-6-8-21(29-23)17(3)4;21-17(22)16-9-4-6-13(20-16)11-12-5-3-8-15(19-12)14-7-1-2-10-18-14;20-24(21,14-8-2-4-11-17-14)19-25(22,23)15-9-5-7-13(18-15)12-6-1-3-10-16-12;1-15(2,11-7-3-5-9(16-11)13(18)19)12-8-4-6-10(17-12)14(20)21;1-3-7-15-11(5-1)9-13-17-14(19-18-13)10-12-6-2-4-8-16-12;1-9(7-13(17)18)15-11-5-3-4-6-12(11)16-10(2)8-14(19)20;1-9(17)12-6-2-4-10(15-12)8-11-5-3-7-13(16-11)14(18)19;16-12(17)10-5-1-3-8(14-10)7-9-4-2-6-11(15-9)13(18)19;1-6-3-8(10(16)17)12-14(6)5-15-7(2)4-9(13-15)11(18)19;14-18(15,9-5-1-3-7-11-9)13-19(16,17)10-6-2-4-8-12-10/h5-14,16-17,26-27H,15H2,1-4H3;1-10H,11H2,(H,21,22);1-11,19H;3-8H,1-2H3,(H,18,19)(H,20,21);1-8H,9-10H2,(H,17,18,19);3-6H,7-8H2,1-2H3,(H,17,18)(H,19,20);2-7H,8H2,1H3,(H,18,19);1-6H,7H2,(H,16,17)(H,18,19);3-4H,5H2,1-2H3,(H,16,17)(H,18,19);1-8,13H/b;;;;;15-9+,16-10+;;;;
InChIKeyKQDNYKCVNVAQRC-XPVOPZSVSA-N
MW2944.20 g/mol
LogP21.31
Rot. Bonds45

About 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide

6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide (PubChem CID 159208186) has the molecular formula C148H139N31O29S4 and a molecular weight of 2944.20 g/mol. Its IUPAC name is 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
PubChem CID159208186
Molecular FormulaC148H139N31O29S4
Molecular Weight2944.20 g/mol
Exact Mass2941.92
IUPAC Name6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
SMILESC/C(CC(=O)O)=N\c1ccccc1/N=C(\C)CC(=O)O.CC(=O)c1cccc(Cc2cccc(C(=O)O)n2)n1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1.CC(C)c1cccc(-c2ccc(Cc3ccc(-c4cccc(C(C)C)n4)[nH]3)[nH]2)n1.Cc1cc(C(=O)O)nn1Cn1nc(C(=O)O)cc1C.O=C(O)c1cccc(Cc2cccc(-c3ccccn3)n2)n1.O=C(O)c1cccc(Cc2cccc(C(=O)O)n2)n1.O=S(=O)(NS(=O)(=O)c1cccc(-c2ccccn2)n1)c1ccccn1.O=S(=O)(NS(=O)(=O)c1ccccn1)c1ccccn1.c1ccc(Cc2n[nH]c(Cc3ccccn3)n2)nc1
InChIInChI=1S/C25H28N4.C17H13N3O2.C15H12N4O4S2.C15H14N2O4.C14H13N5.C14H16N2O4.C14H12N2O3.C13H10N2O4.C11H12N4O4.C10H9N3O4S2/c1-16(2)20-7-5-9-22(28-20)24-13-11-18(26-24)15-19-12-14-25(27-19)23-10-6-8-21(29-23)17(3)4;21-17(22)16-9-4-6-13(20-16)11-12-5-3-8-15(19-12)14-7-1-2-10-18-14;20-24(21,14-8-2-4-11-17-14)19-25(22,23)15-9-5-7-13(18-15)12-6-1-3-10-16-12;1-15(2,11-7-3-5-9(16-11)13(18)19)12-8-4-6-10(17-12)14(20)21;1-3-7-15-11(5-1)9-13-17-14(19-18-13)10-12-6-2-4-8-16-12;1-9(7-13(17)18)15-11-5-3-4-6-12(11)16-10(2)8-14(19)20;1-9(17)12-6-2-4-10(15-12)8-11-5-3-7-13(16-11)14(18)19;16-12(17)10-5-1-3-8(14-10)7-9-4-2-6-11(15-9)13(18)19;1-6-3-8(10(16)17)12-14(6)5-15-7(2)4-9(13-15)11(18)19;14-18(15,9-5-1-3-7-11-9)13-19(16,17)10-6-2-4-8-12-10/h5-14,16-17,26-27H,15H2,1-4H3;1-10H,11H2,(H,21,22);1-11,19H;3-8H,1-2H3,(H,18,19)(H,20,21);1-8H,9-10H2,(H,17,18,19);3-6H,7-8H2,1-2H3,(H,17,18)(H,19,20);2-7H,8H2,1H3,(H,18,19);1-6H,7H2,(H,16,17)(H,18,19);3-4H,5H2,1-2H3,(H,16,17)(H,18,19);1-8,13H/b;;;;;15-9+,16-10+;;;;
InChIKeyKQDNYKCVNVAQRC-XPVOPZSVSA-N
XLogP21.31
TPSA916.22 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds45
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.20
LogP ≤ 521.31
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 158313392
1-(1-adamantyl)pyrazole-3-carboxylic acid;N-(benzenesulfonyl)pyridine-2-carboxamide;1-butylpyrazole-3-carboxylic acid;1-tert-butylpyrazole-3-carboxylic acid;2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]propan-2-ol;1H-imidazole-2-carboxylic acid;2-phenyliminopropanoic acid;pyridine-2,6-dicarboxylic acid;1,3-thiazole-2-carboxylic acid
CID 158355763
2-[1-(benzenesulfonyl)-2-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-amine;2-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;tert-butyl 2-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]acetate;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,3-dimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158756811
6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;2,2-bis(aminomethyl)propane-1,3-diamine;[1-[di(pyrazol-1-yl)methyl]pyrazol-3-yl]methanamine;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;N-propan-2-yl-N',N'-bis[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
CID 159718747
3-[benzyl(2-carboxyethyl)amino]propanoic acid;2-[benzyl(carboxymethyl)amino]acetic acid;2-[carboxymethyl(methyl)amino]acetic acid;6-methyl-N-(6-methylpyridine-2-carbonyl)pyridine-2-carboxamide;N-(pyridine-2-carbonyl)pyridine-2-carboxamide;1-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid;N-(pyridin-2-ylmethyl)pyridine-2-carboxamide;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;N-pyridin-2-ylsulfonylpyridine-2-carboxamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
CID 159824164
1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-amine;2-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;tert-butyl 2-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]acetate;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;bis(1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,3-dimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone);1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160379142
6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
CID 161151909
6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
CID 161289082

Frequently Asked Questions

What is the IUPAC name of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?
The IUPAC name of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide (CID 159208186) is 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide.
What is the SMILES notation for 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?
The canonical SMILES for 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide is C/C(CC(=O)O)=N\c1ccccc1/N=C(\C)CC(=O)O.CC(=O)c1cccc(Cc2cccc(C(=O)O)n2)n1.CC(C)(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1.CC(C)c1cccc(-c2ccc(Cc3ccc(-c4cccc(C(C)C)n4)[nH]3)[nH]2)n1.Cc1cc(C(=O)O)nn1Cn1nc(C(=O)O)cc1C.O=C(O)c1cccc(Cc2cccc(-c3ccccn3)n2)n1.O=C(O)c1cccc(Cc2cccc(C(=O)O)n2)n1.O=S(=O)(NS(=O)(=O)c1cccc(-c2ccccn2)n1)c1ccccn1.O=S(=O)(NS(=O)(=O)c1ccccn1)c1ccccn1.c1ccc(Cc2n[nH]c(Cc3ccccn3)n2)nc1.
What is the InChIKey of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?
The InChIKey is KQDNYKCVNVAQRC-XPVOPZSVSA-N. The full InChI is InChI=1S/C25H28N4.C17H13N3O2.C15H12N4O4S2.C15H14N2O4.C14H13N5.C14H16N2O4.C14H12N2O3.C13H10N2O4.C11H12N4O4.C10H9N3O4S2/c1-16(2)20-7-5-9-22(28-20)24-13-11-18(26-24)15-19-12-14-25(27-19)23-10-6-8-21(29-23)17(3)4;21-17(22)16-9-4-6-13(20-16)11-12-5-3-8-15(19-12)14-7-1-2-10-18-14;20-24(21,14-8-2-4-11-17-14)19-25(22,23)15-9-5-7-13(18-15)12-6-1-3-10-16-12;1-15(2,11-7-3-5-9(16-11)13(18)19)12-8-4-6-10(17-12)14(20)21;1-3-7-15-11(5-1)9-13-17-14(19-18-13)10-12-6-2-4-8-16-12;1-9(7-13(17)18)15-11-5-3-4-6-12(11)16-10(2)8-14(19)20;1-9(17)12-6-2-4-10(15-12)8-11-5-3-7-13(16-11)14(18)19;16-12(17)10-5-1-3-8(14-10)7-9-4-2-6-11(15-9)13(18)19;1-6-3-8(10(16)17)12-14(6)5-15-7(2)4-9(13-15)11(18)19;14-18(15,9-5-1-3-7-11-9)13-19(16,17)10-6-2-4-8-12-10/h5-14,16-17,26-27H,15H2,1-4H3;1-10H,11H2,(H,21,22);1-11,19H;3-8H,1-2H3,(H,18,19)(H,20,21);1-8H,9-10H2,(H,17,18,19);3-6H,7-8H2,1-2H3,(H,17,18)(H,19,20);2-7H,8H2,1H3,(H,18,19);1-6H,7H2,(H,16,17)(H,18,19);3-4H,5H2,1-2H3,(H,16,17)(H,18,19);1-8,13H/b;;;;;15-9+,16-10+;;;;.
What are the key properties of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?
6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide has a molecular weight of 2944.20 g/mol, XLogP of 21.31, 45 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid;6-[(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-[2-(6-carboxy-2-pyridinyl)propan-2-yl]pyridine-2-carboxylic acid;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;2-[[3-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide;N-pyridin-2-ylsulfonylpyridine-2-sulfonamide is sourced from PubChem (CID 159208186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).