N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide

C13H9ClFN3O2 — CID 60748722

IUPACN-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F
InChIInChI=1S/C13H9ClFN3O2/c14-7-3-4-17-11(5-7)13(20)18-8-1-2-10(15)9(6-8)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyDKBRWQSMFOWGHX-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.23
Rot. Bonds3

About N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide (PubChem CID 60748722) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
PubChem CID60748722
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F
InChIInChI=1S/C13H9ClFN3O2/c14-7-3-4-17-11(5-7)13(20)18-8-1-2-10(15)9(6-8)12(16)19/h1-6H,(H2,16,19)(H,18,20)
InChIKeyDKBRWQSMFOWGHX-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
CID 103754415
2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
CID 115295635
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-quinoxalin-6-ylpyridine-2-carboxamide
CID 47254903
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
CID 115279672
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 18204016
4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 115116953
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide (CID 60748722) is N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide?
The InChIKey is DKBRWQSMFOWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c14-7-3-4-17-11(5-7)13(20)18-8-1-2-10(15)9(6-8)12(16)19/h1-6H,(H2,16,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide has a molecular weight of 293.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 60748722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).