2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide

C22H20N2O — CID 86777242

IUPAC2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccnc1)C1CC1c1ccccc1
InChIInChI=1S/C22H20N2O/c25-22(20-14-19(20)16-8-3-1-4-9-16)24-21(17-10-5-2-6-11-17)18-12-7-13-23-15-18/h1-13,15,19-21H,14H2,(H,24,25)
InChIKeyLCSQDVGQLONUGF-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.09
Rot. Bonds5

About 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide

2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 86777242) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID86777242
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccnc1)C1CC1c1ccccc1
InChIInChI=1S/C22H20N2O/c25-22(20-14-19(20)16-8-3-1-4-9-16)24-21(17-10-5-2-6-11-17)18-12-7-13-23-15-18/h1-13,15,19-21H,14H2,(H,24,25)
InChIKeyLCSQDVGQLONUGF-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
trans-(1R,2R)-N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-2-phenylcyclopropane-1-carboxamide
CID 98784985
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 36951570
(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213427
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97214646
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
CID 40573364
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
CID 40540652

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide (CID 86777242) is 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide is O=C(NC(c1ccccc1)c1cccnc1)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is LCSQDVGQLONUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(20-14-19(20)16-8-3-1-4-9-16)24-21(17-10-5-2-6-11-17)18-12-7-13-23-15-18/h1-13,15,19-21H,14H2,(H,24,25).
What are the key properties of 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide?
2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86777242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).