4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109079626

IUPAC4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-15(2)14-23-19(24)17-10-12-21-18(13-17)20(25)22-11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12-13,15H,6,9,11,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNYPDIEQODZPZTI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.83
Rot. Bonds8

About 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079626) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079626
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccnc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-15(2)14-23-19(24)17-10-12-21-18(13-17)20(25)22-11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12-13,15H,6,9,11,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNYPDIEQODZPZTI-UHFFFAOYSA-N
XLogP2.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109079626) is 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is CC(C)CNC(=O)c1ccnc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is NYPDIEQODZPZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)14-23-19(24)17-10-12-21-18(13-17)20(25)22-11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12-13,15H,6,9,11,14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).