N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide

C13H10FN3O2 — CID 60565205

IUPACN-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H10FN3O2/c14-11-7-8(5-6-16-11)13(19)17-10-4-2-1-3-9(10)12(15)18/h1-7H,(H2,15,18)(H,17,19)
InChIKeyFBZHJRCSCLEPJW-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.57
Rot. Bonds3

About N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide

N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide (PubChem CID 60565205) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
PubChem CID60565205
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC NameN-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H10FN3O2/c14-11-7-8(5-6-16-11)13(19)17-10-4-2-1-3-9(10)12(15)18/h1-7H,(H2,15,18)(H,17,19)
InChIKeyFBZHJRCSCLEPJW-UHFFFAOYSA-N
XLogP1.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61294571
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104
2-benzamidobenzamide
CID 702115
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
CID 61293813
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765134

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide (CID 60565205) is N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide is NC(=O)c1ccccc1NC(=O)c1ccnc(F)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is FBZHJRCSCLEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-11-7-8(5-6-16-11)13(19)17-10-4-2-1-3-9(10)12(15)18/h1-7H,(H2,15,18)(H,17,19).
What are the key properties of N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide?
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 259.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 60565205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).