2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109089566

IUPAC2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(C(=O)NCCC(C)C)ccn1
InChIInChI=1S/C20H25N3O2/c1-13(2)8-10-22-19(24)16-9-11-21-17(12-16)20(25)23-18-14(3)6-5-7-15(18)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWVMPGSMKPGXMES-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.73
Rot. Bonds6

About 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide

2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide (PubChem CID 109089566) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
PubChem CID109089566
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(C(=O)NCCC(C)C)ccn1
InChIInChI=1S/C20H25N3O2/c1-13(2)8-10-22-19(24)16-9-11-21-17(12-16)20(25)23-18-14(3)6-5-7-15(18)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWVMPGSMKPGXMES-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089662
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
ethyl 4-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089625
ethyl 2-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089636
2-N-(2,3-dimethylphenyl)-4-N-(2,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092030
N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354203
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086371
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide (CID 109089566) is 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide is Cc1cccc(C)c1NC(=O)c1cc(C(=O)NCCC(C)C)ccn1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The InChIKey is WVMPGSMKPGXMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)8-10-22-19(24)16-9-11-21-17(12-16)20(25)23-18-14(3)6-5-7-15(18)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).