2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

C18H21N3O2 — CID 109078108

IUPAC2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)c1
InChIInChI=1S/C18H21N3O2/c1-11(2)20-17(22)14-5-6-19-16(10-14)18(23)21-15-8-12(3)7-13(4)9-15/h5-11H,1-4H3,(H,20,22)(H,21,23)
InChIKeyHJVSQZPTRGLZTN-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.09
Rot. Bonds4

About 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109078108) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109078108
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)c1
InChIInChI=1S/C18H21N3O2/c1-11(2)20-17(22)14-5-6-19-16(10-14)18(23)21-15-8-12(3)7-13(4)9-15/h5-11H,1-4H3,(H,20,22)(H,21,23)
InChIKeyHJVSQZPTRGLZTN-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078190
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109078108) is 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is HJVSQZPTRGLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)20-17(22)14-5-6-19-16(10-14)18(23)21-15-8-12(3)7-13(4)9-15/h5-11H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).