N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C13H10Cl2N2O3 — CID 52901858

IUPACN-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2cc(Cl)ccc2Cl)cc1=O
InChIInChI=1S/C13H10Cl2N2O3/c1-20-12-6-16-10(5-11(12)18)13(19)17-9-4-7(14)2-3-8(9)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyPXRYVYBUAQERBE-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.94
Rot. Bonds3

About N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 52901858) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID52901858
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC NameN-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2cc(Cl)ccc2Cl)cc1=O
InChIInChI=1S/C13H10Cl2N2O3/c1-20-12-6-16-10(5-11(12)18)13(19)17-9-4-7(14)2-3-8(9)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyPXRYVYBUAQERBE-UHFFFAOYSA-N
XLogP2.94
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
N-(4-acetamidophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376477
N-[2-(4-chlorophenyl)sulfanylethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 53369146
5-methoxy-4-oxo-N-(4-oxochromen-6-yl)-1H-pyridine-2-carboxamide
CID 127252932
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
5-methoxy-4-oxo-N-(1-propan-2-ylindol-4-yl)-1H-pyridine-2-carboxamide
CID 127254427
4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 87045785
5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide
CID 125433952

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 52901858) is N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)Nc2cc(Cl)ccc2Cl)cc1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PXRYVYBUAQERBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-20-12-6-16-10(5-11(12)18)13(19)17-9-4-7(14)2-3-8(9)15/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 52901858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).