N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C18H20N2O — CID 78034984

IUPACN-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CC2c2ccccc2)nc1
InChIInChI=1S/C18H20N2O/c1-12-8-9-17(19-11-12)13(2)20-18(21)16-10-15(16)14-6-4-3-5-7-14/h3-9,11,13,15-16H,10H2,1-2H3,(H,20,21)
InChIKeyZZEGZAPJADEULV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide

N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 78034984) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID78034984
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CC2c2ccccc2)nc1
InChIInChI=1S/C18H20N2O/c1-12-8-9-17(19-11-12)13(2)20-18(21)16-10-15(16)14-6-4-3-5-7-14/h3-9,11,13,15-16H,10H2,1-2H3,(H,20,21)
InChIKeyZZEGZAPJADEULV-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319
N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034986
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 89367782
trans-(1S,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460835
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
2-phenyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 56725051
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149
N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 91651554

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 78034984) is N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide is Cc1ccc(C(C)NC(=O)C2CC2c2ccccc2)nc1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZZEGZAPJADEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-8-9-17(19-11-12)13(2)20-18(21)16-10-15(16)14-6-4-3-5-7-14/h3-9,11,13,15-16H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 78034984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).