methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate

C15H14N2O4 — CID 63859252

IUPACmethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(O)c2)c(C)c1
InChIInChI=1S/C15H14N2O4/c1-9-5-10(15(20)21-2)3-4-13(9)17-14(19)11-6-12(18)8-16-7-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyCAUKRAIOUTUQEL-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.13
Rot. Bonds3

About methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate

methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate (PubChem CID 63859252) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
PubChem CID63859252
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(O)c2)c(C)c1
InChIInChI=1S/C15H14N2O4/c1-9-5-10(15(20)21-2)3-4-13(9)17-14(19)11-6-12(18)8-16-7-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyCAUKRAIOUTUQEL-UHFFFAOYSA-N
XLogP2.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 63860452
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
CID 113349996
methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
N-(2,5-difluoro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 103586314
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate (CID 63859252) is methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2cncc(O)c2)c(C)c1.
What is the InChIKey of methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate?
The InChIKey is CAUKRAIOUTUQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-5-10(15(20)21-2)3-4-13(9)17-14(19)11-6-12(18)8-16-7-11/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate?
methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate has a molecular weight of 286.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate is sourced from PubChem (CID 63859252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).