N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C18H17N3O — CID 78034986

IUPACN-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1c1ccccc1)c1ccc(C#N)nc1
InChIInChI=1S/C18H17N3O/c1-12(14-7-8-15(10-19)20-11-14)21-18(22)17-9-16(17)13-5-3-2-4-6-13/h2-8,11-12,16-17H,9H2,1H3,(H,21,22)
InChIKeyMMOGBNKDNMQUBT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.93
Rot. Bonds4

About N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide

N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 78034986) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID78034986
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1c1ccccc1)c1ccc(C#N)nc1
InChIInChI=1S/C18H17N3O/c1-12(14-7-8-15(10-19)20-11-14)21-18(22)17-9-16(17)13-5-3-2-4-6-13/h2-8,11-12,16-17H,9H2,1H3,(H,21,22)
InChIKeyMMOGBNKDNMQUBT-UHFFFAOYSA-N
XLogP2.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-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

trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 89367782
2-phenyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 56725051
N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034984
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethanol;trans-(1S,2S)-N-[(1S)-1-[6-(cyanomethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 159251558
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 78034986) is N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide is CC(NC(=O)C1CC1c1ccccc1)c1ccc(C#N)nc1.
What is the InChIKey of N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MMOGBNKDNMQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12(14-7-8-15(10-19)20-11-14)21-18(22)17-9-16(17)13-5-3-2-4-6-13/h2-8,11-12,16-17H,9H2,1H3,(H,21,22).
What are the key properties of N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 78034986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).