N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide

C16H17FN2O — CID 115497112

IUPACN-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cccc(F)n1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-2-3-12-19(13-8-5-4-6-9-13)16(20)14-10-7-11-15(17)18-14/h4-11H,2-3,12H2,1H3
InChIKeyYEDCALPAHUJFEA-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.67
Rot. Bonds5

About N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide

N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide (PubChem CID 115497112) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
PubChem CID115497112
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cccc(F)n1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-2-3-12-19(13-8-5-4-6-9-13)16(20)14-10-7-11-15(17)18-14/h4-11H,2-3,12H2,1H3
InChIKeyYEDCALPAHUJFEA-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
CID 64584654
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 24672160
N-butyl-N-phenylprop-2-enamide
CID 43619884
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide (CID 115497112) is N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide is CCCCN(C(=O)c1cccc(F)n1)c1ccccc1.
What is the InChIKey of N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide?
The InChIKey is YEDCALPAHUJFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-3-12-19(13-8-5-4-6-9-13)16(20)14-10-7-11-15(17)18-14/h4-11H,2-3,12H2,1H3.
What are the key properties of N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide?
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 115497112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).