2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide

C10H12N2O — CID 45352995

IUPAC2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccncc1
InChIInChI=1S/C10H12N2O/c1-7-6-9(7)10(13)12-8-2-4-11-5-3-8/h2-5,7,9H,6H2,1H3,(H,11,12,13)
InChIKeyNMDUCXOHBJSPDE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.68
Rot. Bonds2

About 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide

2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 45352995) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID45352995
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccncc1
InChIInChI=1S/C10H12N2O/c1-7-6-9(7)10(13)12-8-2-4-11-5-3-8/h2-5,7,9H,6H2,1H3,(H,11,12,13)
InChIKeyNMDUCXOHBJSPDE-UHFFFAOYSA-N
XLogP1.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 18644147
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
(1S,2R,4S)-4-(aminomethyl)-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide;hydrate;dihydrochloride
CID 24837033
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide (CID 45352995) is 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccncc1.
What is the InChIKey of 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is NMDUCXOHBJSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-6-9(7)10(13)12-8-2-4-11-5-3-8/h2-5,7,9H,6H2,1H3,(H,11,12,13).
What are the key properties of 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 45352995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).