3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide

C21H19N3O2 — CID 46411335

IUPAC3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)n1
InChIInChI=1S/C21H19N3O2/c1-14-11-12-17(21(26)24-19-10-6-7-15(2)22-19)13-18(14)23-20(25)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyWENDEPWXUZRUCV-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.20
Rot. Bonds4

About 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide

3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 46411335) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID46411335
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)n1
InChIInChI=1S/C21H19N3O2/c1-14-11-12-17(21(26)24-19-10-6-7-15(2)22-19)13-18(14)23-20(25)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyWENDEPWXUZRUCV-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide (CID 46411335) is 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)n1.
What is the InChIKey of 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is WENDEPWXUZRUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-11-12-17(21(26)24-19-10-6-7-15(2)22-19)13-18(14)23-20(25)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide?
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 46411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).