N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide

C27H24N2O — CID 91363537

IUPACN-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
SMILESCc1cc(C)cc(-c2ccc(-c3cccnc3)c(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C27H24N2O/c1-19-13-20(2)15-24(14-19)22-10-11-25(23-9-6-12-28-18-23)26(16-22)27(30)29-17-21-7-4-3-5-8-21/h3-16,18H,17H2,1-2H3,(H,29,30)
InChIKeyDBEHTDPKKCAJCP-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.96
Rot. Bonds5

About N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide

N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide (PubChem CID 91363537) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
PubChem CID91363537
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC NameN-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
SMILESCc1cc(C)cc(-c2ccc(-c3cccnc3)c(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C27H24N2O/c1-19-13-20(2)15-24(14-19)22-10-11-25(23-9-6-12-28-18-23)26(16-22)27(30)29-17-21-7-4-3-5-8-21/h3-16,18H,17H2,1-2H3,(H,29,30)
InChIKeyDBEHTDPKKCAJCP-UHFFFAOYSA-N
XLogP5.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24538422
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CID 71905944
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
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2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-benzylpyridine-3-carboxamide chloride
CID 21204170
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 175651298

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide?
The IUPAC name of N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide (CID 91363537) is N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide.
What is the SMILES notation for N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide?
The canonical SMILES for N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide is Cc1cc(C)cc(-c2ccc(-c3cccnc3)c(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide?
The InChIKey is DBEHTDPKKCAJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-19-13-20(2)15-24(14-19)22-10-11-25(23-9-6-12-28-18-23)26(16-22)27(30)29-17-21-7-4-3-5-8-21/h3-16,18H,17H2,1-2H3,(H,29,30).
What are the key properties of N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide?
N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 91363537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).