3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide

C21H20N2O — CID 91120508

IUPAC3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCCc1ccccc1-c1ccccc1
InChIInChI=1S/C21H20N2O/c1-16-15-22-13-12-19(16)21(24)23-14-11-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-10,12-13,15H,11,14H2,1H3,(H,23,24)
InChIKeyPTUSAUOUIKCFSD-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.03
Rot. Bonds5

About 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide

3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 91120508) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID91120508
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCCc1ccccc1-c1ccccc1
InChIInChI=1S/C21H20N2O/c1-16-15-22-13-12-19(16)21(24)23-14-11-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-10,12-13,15H,11,14H2,1H3,(H,23,24)
InChIKeyPTUSAUOUIKCFSD-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4472
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3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
MS 857
CID 129517
Tagorizine
CID 6436051
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
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CID 4648643
Phenatine
CID 120640
Nicotinic acid benzylamide
CID 98499
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide (CID 91120508) is 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)NCCc1ccccc1-c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is PTUSAUOUIKCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-16-15-22-13-12-19(16)21(24)23-14-11-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-10,12-13,15H,11,14H2,1H3,(H,23,24).
What are the key properties of 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide?
3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 91120508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).