1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C16H16N2O — CID 30944923

IUPAC1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H16N2O/c19-15(18-12-14-8-4-5-11-17-14)16(9-10-16)13-6-2-1-3-7-13/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyXOJVFJJMXGMNRZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.43
Rot. Bonds4

About 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 30944923) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID30944923
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H16N2O/c19-15(18-12-14-8-4-5-11-17-14)16(9-10-16)13-6-2-1-3-7-13/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyXOJVFJJMXGMNRZ-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086099
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 30944923) is 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccccn1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is XOJVFJJMXGMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15(18-12-14-8-4-5-11-17-14)16(9-10-16)13-6-2-1-3-7-13/h1-8,11H,9-10,12H2,(H,18,19).
What are the key properties of 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 30944923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).