N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide

C20H18N2O — CID 60605361

IUPACN-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-16-10-12-17(13-11-16)15-22-14-6-5-9-19(22)21-20(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b21-19+
InChIKeyGPHZSLCSEOJMPK-XUTLUUPISA-N
MW302.38 g/mol
LogP3.59
Rot. Bonds3

About N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide

N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide (PubChem CID 60605361) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
PubChem CID60605361
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-16-10-12-17(13-11-16)15-22-14-6-5-9-19(22)21-20(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b21-19+
InChIKeyGPHZSLCSEOJMPK-XUTLUUPISA-N
XLogP3.59
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide (CID 60605361) is N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide is Cc1ccc(Cn2cccc/c2=N\C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide?
The InChIKey is GPHZSLCSEOJMPK-XUTLUUPISA-N. The full InChI is InChI=1S/C20H18N2O/c1-16-10-12-17(13-11-16)15-22-14-6-5-9-19(22)21-20(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b21-19+.
What are the key properties of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide?
N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide has a molecular weight of 302.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide is sourced from PubChem (CID 60605361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).