N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide

C14H13ClN2O4 — CID 60709422

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(=O)[nH]c2)cc1OC
InChIInChI=1S/C14H13ClN2O4/c1-20-11-5-9(15)10(6-12(11)21-2)17-14(19)8-3-4-13(18)16-7-8/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyCZTJERXFNQZUBE-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.30
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60709422) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60709422
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(=O)[nH]c2)cc1OC
InChIInChI=1S/C14H13ClN2O4/c1-20-11-5-9(15)10(6-12(11)21-2)17-14(19)8-3-4-13(18)16-7-8/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyCZTJERXFNQZUBE-UHFFFAOYSA-N
XLogP2.30
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 42089647
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
4-methoxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115411071
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 78969253
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 60709422) is N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide is COc1cc(Cl)c(NC(=O)c2ccc(=O)[nH]c2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CZTJERXFNQZUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-20-11-5-9(15)10(6-12(11)21-2)17-14(19)8-3-4-13(18)16-7-8/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 308.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60709422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).