5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide

C14H10ClF2N3O3 — CID 167829005

IUPAC5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C(N)=O
InChIInChI=1S/C14H10ClF2N3O3/c1-23-14-8(12(18)21)2-6(5-19-14)20-13(22)7-3-10(16)11(17)4-9(7)15/h2-5H,1H3,(H2,18,21)(H,20,22)
InChIKeyFANFZNWUIPQXFZ-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.37
Rot. Bonds4

About 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide

5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide (PubChem CID 167829005) has the molecular formula C14H10ClF2N3O3 and a molecular weight of 341.70 g/mol. Its IUPAC name is 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
PubChem CID167829005
Molecular FormulaC14H10ClF2N3O3
Molecular Weight341.70 g/mol
Exact Mass341.04
IUPAC Name5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C(N)=O
InChIInChI=1S/C14H10ClF2N3O3/c1-23-14-8(12(18)21)2-6(5-19-14)20-13(22)7-3-10(16)11(17)4-9(7)15/h2-5H,1H3,(H2,18,21)(H,20,22)
InChIKeyFANFZNWUIPQXFZ-UHFFFAOYSA-N
XLogP2.37
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[(5-fluoro-2-methoxybenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 154743816
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
2,2,2-trifluoroethyl 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetate
CID 164752222
2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693470
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
2-methoxy-5-methylpyridine-3-carboxamide
CID 123709075
2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide
CID 119897971
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
(3S,4S)-1-[(5-carbamoyl-6-methoxy-3-pyridinyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122086890
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide (CID 167829005) is 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide is COc1ncc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C(N)=O.
What is the InChIKey of 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is FANFZNWUIPQXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O3/c1-23-14-8(12(18)21)2-6(5-19-14)20-13(22)7-3-10(16)11(17)4-9(7)15/h2-5H,1H3,(H2,18,21)(H,20,22).
What are the key properties of 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide?
5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 341.70 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 167829005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).