3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide

C16H17FN2O — CID 110474878

IUPAC3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1ncccc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-16(2,12-7-4-3-5-8-12)11-19-15(20)14-13(17)9-6-10-18-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIYXDOPAUQYUVOV-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.93
Rot. Bonds4

About 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide

3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide (PubChem CID 110474878) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
PubChem CID110474878
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1ncccc1F)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-16(2,12-7-4-3-5-8-12)11-19-15(20)14-13(17)9-6-10-18-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIYXDOPAUQYUVOV-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110474902
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 60748585
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide (CID 110474878) is 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide is CC(C)(CNC(=O)c1ncccc1F)c1ccccc1.
What is the InChIKey of 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is IYXDOPAUQYUVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-16(2,12-7-4-3-5-8-12)11-19-15(20)14-13(17)9-6-10-18-14/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide?
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 110474878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).