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

C16H17FN2O — CID 47009683

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-11(2)15(12-3-5-14(17)6-4-12)19-16(20)13-7-9-18-10-8-13/h3-11,15H,1-2H3,(H,19,20)
InChIKeyXFOSQFWWZCRNSN-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.35
Rot. Bonds4

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

N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 47009683) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID47009683
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-11(2)15(12-3-5-14(17)6-4-12)19-16(20)13-7-9-18-10-8-13/h3-11,15H,1-2H3,(H,19,20)
InChIKeyXFOSQFWWZCRNSN-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 75523855
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 9051064
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9051085

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide (CID 47009683) is N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide is CC(C)C(NC(=O)c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is XFOSQFWWZCRNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(2)15(12-3-5-14(17)6-4-12)19-16(20)13-7-9-18-10-8-13/h3-11,15H,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 47009683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).