N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide

C16H17FN2O — CID 78878440

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
SMILESCc1cc(CNC(=O)CCc2ccncc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-12-10-14(2-4-15(12)17)11-19-16(20)5-3-13-6-8-18-9-7-13/h2,4,6-10H,3,5,11H2,1H3,(H,19,20)
InChIKeyOQVRCTJIVLADNY-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.78
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide (PubChem CID 78878440) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
PubChem CID78878440
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide
SMILESCc1cc(CNC(=O)CCc2ccncc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-12-10-14(2-4-15(12)17)11-19-16(20)5-3-13-6-8-18-9-7-13/h2,4,6-10H,3,5,11H2,1H3,(H,19,20)
InChIKeyOQVRCTJIVLADNY-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide
CID 122246957
N-[(4-fluoro-3-methylphenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 25468011
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
2-amino-4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoic acid
CID 115181057
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide (CID 78878440) is N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide is Cc1cc(CNC(=O)CCc2ccncc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide?
The InChIKey is OQVRCTJIVLADNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12-10-14(2-4-15(12)17)11-19-16(20)5-3-13-6-8-18-9-7-13/h2,4,6-10H,3,5,11H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide has a molecular weight of 272.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 78878440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).