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

C18H21N3O2 — CID 109102183

IUPAC5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cncc(C(=O)NCC(C)C)c1
InChIInChI=1S/C18H21N3O2/c1-12(2)9-20-17(22)14-8-15(11-19-10-14)18(23)21-16-7-5-4-6-13(16)3/h4-8,10-12H,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDWFGRUAYTROOLJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.03
Rot. Bonds5

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

5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 109102183) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
PubChem CID109102183
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cncc(C(=O)NCC(C)C)c1
InChIInChI=1S/C18H21N3O2/c1-12(2)9-20-17(22)14-8-15(11-19-10-14)18(23)21-16-7-5-4-6-13(16)3/h4-8,10-12H,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDWFGRUAYTROOLJ-UHFFFAOYSA-N
XLogP3.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide (CID 109102183) is 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide is Cc1ccccc1NC(=O)c1cncc(C(=O)NCC(C)C)c1.
What is the InChIKey of 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is DWFGRUAYTROOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)9-20-17(22)14-8-15(11-19-10-14)18(23)21-16-7-5-4-6-13(16)3/h4-8,10-12H,9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).