3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide

C15H15FN2O2 — CID 115645750

IUPAC3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccncc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-10(11-4-3-5-12(8-11)20-2)18-15(19)13-6-7-17-9-14(13)16/h3-10H,1-2H3,(H,18,19)
InChIKeyWVSJDBRHNKKTAX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.72
Rot. Bonds4

About 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide

3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 115645750) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID115645750
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccncc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-10(11-4-3-5-12(8-11)20-2)18-15(19)13-6-7-17-9-14(13)16/h3-10H,1-2H3,(H,18,19)
InChIKeyWVSJDBRHNKKTAX-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
N-[(1S)-1-(3-methoxyphenyl)ethyl]imidazole-1-carboxamide
CID 81373091
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
(2S)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 166049471
(2R)-4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
CID 155749520

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 115645750) is 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1cccc(C(C)NC(=O)c2ccncc2F)c1.
What is the InChIKey of 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is WVSJDBRHNKKTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(11-4-3-5-12(8-11)20-2)18-15(19)13-6-7-17-9-14(13)16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 115645750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).