6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

C20H23N3O3 — CID 109096195

IUPAC6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)n2)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-16(14(2)11-13)23-20(25)18-7-3-6-17(22-18)19(24)21-12-15-5-4-10-26-15/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyTWWAPLGBDIIPQR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.86
Rot. Bonds5

About 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096195) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109096195
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)n2)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-16(14(2)11-13)23-20(25)18-7-3-6-17(22-18)19(24)21-12-15-5-4-10-26-15/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyTWWAPLGBDIIPQR-UHFFFAOYSA-N
XLogP2.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185179
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109096195) is 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)NCC3CCCO3)n2)c(C)c1.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is TWWAPLGBDIIPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-9-16(14(2)11-13)23-20(25)18-7-3-6-17(22-18)19(24)21-12-15-5-4-10-26-15/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).