N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide

C20H19N3O — CID 22245146

IUPACN-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
InChIInChI=1S/C20H19N3O/c1-15-5-4-6-17(13-15)23-20(24)18-7-2-3-8-19(18)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyCKHZHTUSZIEKAA-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.25
Rot. Bonds5

About N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide

N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 22245146) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID22245146
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
InChIInChI=1S/C20H19N3O/c1-15-5-4-6-17(13-15)23-20(24)18-7-2-3-8-19(18)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyCKHZHTUSZIEKAA-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide (CID 22245146) is N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide is Cc1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is CKHZHTUSZIEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-5-4-6-17(13-15)23-20(24)18-7-2-3-8-19(18)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide?
N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 317.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 22245146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).