N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide

C15H13F3N2O — CID 115645773

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1ccncc1F
InChIInChI=1S/C15H13F3N2O/c1-9(12-7-10(16)3-4-13(12)17)20(2)15(21)11-5-6-19-8-14(11)18/h3-9H,1-2H3
InChIKeyKRTHBLBGTVAVEV-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.33
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 115645773) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID115645773
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1ccncc1F
InChIInChI=1S/C15H13F3N2O/c1-9(12-7-10(16)3-4-13(12)17)20(2)15(21)11-5-6-19-8-14(11)18/h3-9H,1-2H3
InChIKeyKRTHBLBGTVAVEV-UHFFFAOYSA-N
XLogP3.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
N,N-Diethylnicotinamide
CID 5497
(+-)-Cotinine
CID 408
4-Benzoylpyridine
CID 26731
Enisamium Iodide
CID 10089466
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
Isonicotinic acid, cinnamylidenehydrazide
CID 6862358
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
R-(+)-Cotinine
CID 21907

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 115645773) is N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1ccncc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is KRTHBLBGTVAVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9(12-7-10(16)3-4-13(12)17)20(2)15(21)11-5-6-19-8-14(11)18/h3-9H,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115645773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).