2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

C24H25N3O2 — CID 109089037

IUPAC2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NCCCc3ccccc3)ccn2)c1
InChIInChI=1S/C24H25N3O2/c1-17-13-18(2)15-21(14-17)27-24(29)22-16-20(10-12-25-22)23(28)26-11-6-9-19-7-4-3-5-8-19/h3-5,7-8,10,12-16H,6,9,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRILCUTHOIRRFRS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.31
Rot. Bonds7

About 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide

2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109089037) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109089037
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C(=O)NCCCc3ccccc3)ccn2)c1
InChIInChI=1S/C24H25N3O2/c1-17-13-18(2)15-21(14-17)27-24(29)22-16-20(10-12-25-22)23(28)26-11-6-9-19-7-4-3-5-8-19/h3-5,7-8,10,12-16H,6,9,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRILCUTHOIRRFRS-UHFFFAOYSA-N
XLogP4.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.31
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-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089049
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109089037) is 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cc(C(=O)NCCCc3ccccc3)ccn2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is RILCUTHOIRRFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-13-18(2)15-21(14-17)27-24(29)22-16-20(10-12-25-22)23(28)26-11-6-9-19-7-4-3-5-8-19/h3-5,7-8,10,12-16H,6,9,11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.31, 7 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-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).