1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide

C15H13F3N2O2 — CID 175934980

IUPAC1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESCC(c1cccc(C(F)F)c1F)n1cc(C(N)=O)ccc1=O
InChIInChI=1S/C15H13F3N2O2/c1-8(10-3-2-4-11(13(10)16)14(17)18)20-7-9(15(19)22)5-6-12(20)21/h2-8,14H,1H3,(H2,19,22)
InChIKeyIHQVMQPRCISUGF-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.63
Rot. Bonds4

About 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide

1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 175934980) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
PubChem CID175934980
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESCC(c1cccc(C(F)F)c1F)n1cc(C(N)=O)ccc1=O
InChIInChI=1S/C15H13F3N2O2/c1-8(10-3-2-4-11(13(10)16)14(17)18)20-7-9(15(19)22)5-6-12(20)21/h2-8,14H,1H3,(H2,19,22)
InChIKeyIHQVMQPRCISUGF-UHFFFAOYSA-N
XLogP2.63
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934929
4-(difluoromethyl)-2,3-difluorobenzamide
CID 119005001
(2S)-2-acetamidopropanoic acid;(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine
CID 175847795
1-[1-(difluoromethyl)cyclobutyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)amino]-6-oxopyridine-3-carboxamide
CID 169321739
1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide
CID 169321559
1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[3-(dimethylamino)cyclobutyl]amino]-6-oxopyridine-3-carboxamide
CID 172558745
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)amino]-6-oxo-1-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 169321537
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide (CID 175934980) is 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide is CC(c1cccc(C(F)F)c1F)n1cc(C(N)=O)ccc1=O.
What is the InChIKey of 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is IHQVMQPRCISUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-8(10-3-2-4-11(13(10)16)14(17)18)20-7-9(15(19)22)5-6-12(20)21/h2-8,14H,1H3,(H2,19,22).
What are the key properties of 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 175934980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).