N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C16H17FN2O — CID 95056530

IUPACN-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN2O/c1-3-11(2)19-16(20)13-7-8-15(18-10-13)12-5-4-6-14(17)9-12/h4-11H,3H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyVJMKVAMZPSEHDB-LLVKDONJSA-N
MW272.32 g/mol
LogP3.42
Rot. Bonds4

About N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 95056530) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID95056530
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN2O/c1-3-11(2)19-16(20)13-7-8-15(18-10-13)12-5-4-6-14(17)9-12/h4-11H,3H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyVJMKVAMZPSEHDB-LLVKDONJSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71013623
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
benzyl N-[(2S)-1-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]propan-2-yl]carbamate
CID 123998542
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-(2,4-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 53111135
6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 68507339
6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
CID 59743759

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 95056530) is N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CC[C@@H](C)NC(=O)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is VJMKVAMZPSEHDB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-11(2)19-16(20)13-7-8-15(18-10-13)12-5-4-6-14(17)9-12/h4-11H,3H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 95056530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).