2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

C17H19N3O2 — CID 109078101

IUPAC2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)cc1
InChIInChI=1S/C17H19N3O2/c1-11(2)19-16(21)13-8-9-18-15(10-13)17(22)20-14-6-4-12(3)5-7-14/h4-11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRPXLNUUCKDQZBZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.78
Rot. Bonds4

About 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide

2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109078101) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109078101
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)cc1
InChIInChI=1S/C17H19N3O2/c1-11(2)19-16(21)13-8-9-18-15(10-13)17(22)20-14-6-4-12(3)5-7-14/h4-11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRPXLNUUCKDQZBZ-UHFFFAOYSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078190
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109078101) is 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2cc(C(=O)NC(C)C)ccn2)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is RPXLNUUCKDQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(2)19-16(21)13-8-9-18-15(10-13)17(22)20-14-6-4-12(3)5-7-14/h4-11H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).