6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid

C67H64Cl2N10O13 — CID 161095829

IUPAC6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid
SMILESCCOC(=O)c1nccc(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C.CCOC(=O)c1nccc(NC(=O)c2nc(Cl)ccc2C)c1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1ccnc(C(=O)O)c1C.Cc1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C23H23N3O4.C21H19N3O4.C16H16ClN3O3.C7H6ClNO2/c1-4-30-23(29)21-15(3)18(10-11-24-21)26-22(28)20-14(2)8-9-19(25-20)17-7-5-6-16(12-17)13-27;1-12-6-7-17(15-5-3-4-14(10-15)11-25)23-18(12)20(26)24-16-8-9-22-19(13(16)2)21(27)28;1-4-23-16(22)14-10(3)11(7-8-18-14)19-15(21)13-9(2)5-6-12(17)20-13;1-4-2-3-5(8)9-6(4)7(10)11/h5-12,27H,4,13H2,1-3H3,(H,24,26,28);3-10,25H,11H2,1-2H3,(H,27,28)(H,22,24,26);5-8H,4H2,1-3H3,(H,18,19,21);2-3H,1H3,(H,10,11)
InChIKeyUHTXGUCFEKASBN-UHFFFAOYSA-N
MW1288.21 g/mol
LogP11.80
Rot. Bonds16

About 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid

6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid (PubChem CID 161095829) has the molecular formula C67H64Cl2N10O13 and a molecular weight of 1288.21 g/mol. Its IUPAC name is 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid
PubChem CID161095829
Molecular FormulaC67H64Cl2N10O13
Molecular Weight1288.21 g/mol
Exact Mass1286.40
IUPAC Name6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid
SMILESCCOC(=O)c1nccc(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C.CCOC(=O)c1nccc(NC(=O)c2nc(Cl)ccc2C)c1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1ccnc(C(=O)O)c1C.Cc1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C23H23N3O4.C21H19N3O4.C16H16ClN3O3.C7H6ClNO2/c1-4-30-23(29)21-15(3)18(10-11-24-21)26-22(28)20-14(2)8-9-19(25-20)17-7-5-6-16(12-17)13-27;1-12-6-7-17(15-5-3-4-14(10-15)11-25)23-18(12)20(26)24-16-8-9-22-19(13(16)2)21(27)28;1-4-23-16(22)14-10(3)11(7-8-18-14)19-15(21)13-9(2)5-6-12(17)20-13;1-4-2-3-5(8)9-6(4)7(10)11/h5-12,27H,4,13H2,1-3H3,(H,24,26,28);3-10,25H,11H2,1-2H3,(H,27,28)(H,22,24,26);5-8H,4H2,1-3H3,(H,18,19,21);2-3H,1H3,(H,10,11)
InChIKeyUHTXGUCFEKASBN-UHFFFAOYSA-N
XLogP11.80
TPSA345.19 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001288.21
LogP ≤ 511.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid with MolForge

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Related Compounds

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CID 158828482
(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-5-prop-1-en-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;N-[(2S)-2-hydroxypropyl]-4-[[5-prop-1-en-2-yl-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyridine-3-carboxamide;methyl 4-aminopyridine-3-carboxylate;[3-(trifluoromethyl)phenyl]boronic acid
CID 161719831
Ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methyl-pyridine-2-carbonyl]amino]-3,5-dimethyl-pyridine-2-carboxylate
CID 118174964
Ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate
CID 122519836
Potassium;6-chloro-3-methylpyridine-2-carboxylate;ethyl 6-chloro-3-methylpyridine-2-carboxylate;ethyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;ethyl 3-methylpyridine-2-carboxylate;3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoic acid;methyl 3-[2-(6-chloro-3-methyl-2-pyridinyl)-2-oxoethyl]-2,4-dimethylbenzoate;methyl 3-[2-[6-[3-(hydroxymethyl)phenyl]-3-methyl-2-pyridinyl]-2-oxoethyl]-2,4-dimethylbenzoate;3-methylpyridine-2-carboxylic acid
CID 157283628
CID 157487542
CID 157487542
2-tert-butyl-6-chloropyridine;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-phenylpyridine;(6-tert-butyl-2-pyridinyl)methanol
CID 157666909
5-Carbamoyl-3-chloropyridine-2-carboxylic acid;tetrakis(carbon dioxide);3-chloro-5-ethylpyridine-2-carboxylic acid;3-chloro-5-isocyanopyridine-2-carboxylic acid;ethyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate;ethyl 5-ethylpyridine-2-carboxylate;5-ethyl-1-oxidopyridin-1-ium-2-carboxylic acid
CID 157812732
6-Chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylic acid;ethyl 6-chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylate
CID 157878120
2-amino-2-methylpropan-1-ol;4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate
CID 158018379
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CID 158702726
Lithium;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;hydroxide
CID 158789658

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid (CID 161095829) is 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid is CCOC(=O)c1nccc(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C.CCOC(=O)c1nccc(NC(=O)c2nc(Cl)ccc2C)c1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1ccnc(C(=O)O)c1C.Cc1ccc(Cl)nc1C(=O)O.
What is the InChIKey of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid?
The InChIKey is UHTXGUCFEKASBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4.C21H19N3O4.C16H16ClN3O3.C7H6ClNO2/c1-4-30-23(29)21-15(3)18(10-11-24-21)26-22(28)20-14(2)8-9-19(25-20)17-7-5-6-16(12-17)13-27;1-12-6-7-17(15-5-3-4-14(10-15)11-25)23-18(12)20(26)24-16-8-9-22-19(13(16)2)21(27)28;1-4-23-16(22)14-10(3)11(7-8-18-14)19-15(21)13-9(2)5-6-12(17)20-13;1-4-2-3-5(8)9-6(4)7(10)11/h5-12,27H,4,13H2,1-3H3,(H,24,26,28);3-10,25H,11H2,1-2H3,(H,27,28)(H,22,24,26);5-8H,4H2,1-3H3,(H,18,19,21);2-3H,1H3,(H,10,11).
What are the key properties of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid?
6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid has a molecular weight of 1288.21 g/mol, XLogP of 11.80, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 161095829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).