4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide

C16H16ClFN2O — CID 31607589

IUPAC4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-10(2)15(11-3-5-13(18)6-4-11)20-16(21)14-9-12(17)7-8-19-14/h3-10,15H,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyKFEXUKWXFBNWNE-OAHLLOKOSA-N
MW306.77 g/mol
LogP4.00
Rot. Bonds4

About 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide

4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 31607589) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
PubChem CID31607589
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-10(2)15(11-3-5-13(18)6-4-11)20-16(21)14-9-12(17)7-8-19-14/h3-10,15H,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyKFEXUKWXFBNWNE-OAHLLOKOSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 9051064
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62787338
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamic acid
CID 68589066
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide (CID 31607589) is 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide is CC(C)[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is KFEXUKWXFBNWNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(2)15(11-3-5-13(18)6-4-11)20-16(21)14-9-12(17)7-8-19-14/h3-10,15H,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 31607589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).