2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide

C9H10F2N2O — CID 177051325

IUPAC2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C9H10F2N2O/c1-9(10,11)7-5-6(3-4-13-7)8(14)12-2/h3-5H,1-2H3,(H,12,14)
InChIKeyMVBWRJRQUYOFSW-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.55
Rot. Bonds2

About 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide (PubChem CID 177051325) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
PubChem CID177051325
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C9H10F2N2O/c1-9(10,11)7-5-6(3-4-13-7)8(14)12-2/h3-5H,1-2H3,(H,12,14)
InChIKeyMVBWRJRQUYOFSW-UHFFFAOYSA-N
XLogP1.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024633
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]-2-methylpyridine-4-carboxamide
CID 154871433
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
N-methyl-2-(1-methylaziridin-1-ium-1-yl)pyridine-4-carboxamide
CID 123217101
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
N,2-dimethyl-6-(trifluoromethyl)pyridine-4-carboxamide
CID 176676959
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide (CID 177051325) is 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide is CNC(=O)c1ccnc(C(C)(F)F)c1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is MVBWRJRQUYOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-9(10,11)7-5-6(3-4-13-7)8(14)12-2/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 200.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 177051325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).