2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide

C21H19N3O2 — CID 44571801

IUPAC2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-6-16(11-14)20(25)23-17-9-8-15(2)19(12-17)21(26)24-18-7-4-10-22-13-18/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyRNGSSJVFTLSFGU-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.20
Rot. Bonds4

About 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide

2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44571801) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44571801
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-6-16(11-14)20(25)23-17-9-8-15(2)19(12-17)21(26)24-18-7-4-10-22-13-18/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyRNGSSJVFTLSFGU-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 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44571801) is 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide is Cc1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is RNGSSJVFTLSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-3-6-16(11-14)20(25)23-17-9-8-15(2)19(12-17)21(26)24-18-7-4-10-22-13-18/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide 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 2-methyl-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).