2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C22H21N3O — CID 71876328

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C22H21N3O/c26-22(21-13-20(21)19-6-2-1-3-7-19)25(15-17-8-11-23-12-9-17)16-18-5-4-10-24-14-18/h1-12,14,20-21H,13,15-16H2
InChIKeyCTQLBMCSQHMCSE-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.81
Rot. Bonds6

About 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 71876328) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID71876328
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C22H21N3O/c26-22(21-13-20(21)19-6-2-1-3-7-19)25(15-17-8-11-23-12-9-17)16-18-5-4-10-24-14-18/h1-12,14,20-21H,13,15-16H2
InChIKeyCTQLBMCSQHMCSE-UHFFFAOYSA-N
XLogP3.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 95347863
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 97249215
N-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 56783064
cis-(1R,2S)-N-benzyl-N-(2,2-dimethylpropyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95145046
trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 166322112
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 5128594
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 71876328) is 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is CTQLBMCSQHMCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-22(21-13-20(21)19-6-2-1-3-7-19)25(15-17-8-11-23-12-9-17)16-18-5-4-10-24-14-18/h1-12,14,20-21H,13,15-16H2.
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71876328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).