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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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).