methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate

C14H11ClN2O4 — CID 110861604

IUPACmethyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-21-14(20)9-4-2-3-5-11(9)17-12(18)8-6-10(15)13(19)16-7-8/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyCQEFFJVGUBXNEZ-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate

methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate (PubChem CID 110861604) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate
PubChem CID110861604
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Namemethyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-21-14(20)9-4-2-3-5-11(9)17-12(18)8-6-10(15)13(19)16-7-8/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyCQEFFJVGUBXNEZ-UHFFFAOYSA-N
XLogP2.07
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1019242
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
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methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46989249
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
methyl 2-(2H-triazole-4-carbonylamino)benzoate
CID 78969246
methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110861610
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate (CID 110861604) is methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The InChIKey is CQEFFJVGUBXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-14(20)9-4-2-3-5-11(9)17-12(18)8-6-10(15)13(19)16-7-8/h2-7H,1H3,(H,16,19)(H,17,18).
What are the key properties of methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate has a molecular weight of 306.71 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110861604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).