2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide

C21H19N3O2 — CID 840354

IUPAC2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-7-17(11-14)23-20(25)16-9-10-19(22-13-16)21(26)24-18-8-4-6-15(2)12-18/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyNZJWCUHISVYEOK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.20
Rot. Bonds4

About 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide (PubChem CID 840354) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide
PubChem CID840354
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-7-17(11-14)23-20(25)16-9-10-19(22-13-16)21(26)24-18-8-4-6-15(2)12-18/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyNZJWCUHISVYEOK-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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Related Compounds

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CID 4487
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Bupicomide
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Nicotinanilide
CID 74463
Piberaline
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N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide (CID 840354) is 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide is Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)nc2)c1.
What is the InChIKey of 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide?
The InChIKey is NZJWCUHISVYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-3-7-17(11-14)23-20(25)16-9-10-19(22-13-16)21(26)24-18-8-4-6-15(2)12-18/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide 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-N,5-N-bis(3-methylphenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 840354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).