N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide

C13H12FN3O — CID 145227810

IUPACN-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide
SMILESNCNC(=O)c1ccc(F)c(-c2ccccc2)n1
InChIInChI=1S/C13H12FN3O/c14-10-6-7-11(13(18)16-8-15)17-12(10)9-4-2-1-3-5-9/h1-7H,8,15H2,(H,16,18)
InChIKeyNCXDHYKTUPHUPQ-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.53
Rot. Bonds3

About N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide

N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide (PubChem CID 145227810) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide
PubChem CID145227810
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide
SMILESNCNC(=O)c1ccc(F)c(-c2ccccc2)n1
InChIInChI=1S/C13H12FN3O/c14-10-6-7-11(13(18)16-8-15)17-12(10)9-4-2-1-3-5-9/h1-7H,8,15H2,(H,16,18)
InChIKeyNCXDHYKTUPHUPQ-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
2-N-benzyl-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109097324
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
6-chloro-5-fluoropyridine-2-carbohydrazide
CID 151281467
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237279
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide?
The IUPAC name of N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide (CID 145227810) is N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide?
The canonical SMILES for N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide is NCNC(=O)c1ccc(F)c(-c2ccccc2)n1.
What is the InChIKey of N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide?
The InChIKey is NCXDHYKTUPHUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-10-6-7-11(13(18)16-8-15)17-12(10)9-4-2-1-3-5-9/h1-7H,8,15H2,(H,16,18).
What are the key properties of N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide?
N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-5-fluoro-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 145227810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).