2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide

C11H12F2N2O — CID 126766987

IUPAC2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC1C(C(=O)N(C)c2cccnc2)C1(F)F
InChIInChI=1S/C11H12F2N2O/c1-7-9(11(7,12)13)10(16)15(2)8-4-3-5-14-6-8/h3-7,9H,1-2H3
InChIKeyCTACEXHZZOPPNH-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.95
Rot. Bonds2

About 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide

2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 126766987) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID126766987
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC1C(C(=O)N(C)c2cccnc2)C1(F)F
InChIInChI=1S/C11H12F2N2O/c1-7-9(11(7,12)13)10(16)15(2)8-4-3-5-14-6-8/h3-7,9H,1-2H3
InChIKeyCTACEXHZZOPPNH-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 124609562
4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182
5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427235
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
(2R)-N-methyl-2-methylsulfanyl-N-pyridin-3-ylpropanamide
CID 124505183
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
formaldehyde;1-methyl-1-pyridin-3-ylhydrazine
CID 143631457
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
CID 115344230

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide (CID 126766987) is 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide is CC1C(C(=O)N(C)c2cccnc2)C1(F)F.
What is the InChIKey of 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is CTACEXHZZOPPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-7-9(11(7,12)13)10(16)15(2)8-4-3-5-14-6-8/h3-7,9H,1-2H3.
What are the key properties of 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 126766987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).