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

C22H21N3O2 — CID 109089027

IUPAC2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c26-21(24-14-7-10-17-8-3-1-4-9-17)18-13-15-23-20(16-18)22(27)25-19-11-5-2-6-12-19/h1-6,8-9,11-13,15-16H,7,10,14H2,(H,24,26)(H,25,27)
InChIKeyNMEJQGYGCURRNI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds7

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

2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109089027) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109089027
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c26-21(24-14-7-10-17-8-3-1-4-9-17)18-13-15-23-20(16-18)22(27)25-19-11-5-2-6-12-19/h1-6,8-9,11-13,15-16H,7,10,14H2,(H,24,26)(H,25,27)
InChIKeyNMEJQGYGCURRNI-UHFFFAOYSA-N
XLogP3.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
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-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089049
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
2-N-(4-ethylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087726
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
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide (CID 109089027) is 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is O=C(NCCCc1ccccc1)c1ccnc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is NMEJQGYGCURRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(24-14-7-10-17-8-3-1-4-9-17)18-13-15-23-20(16-18)22(27)25-19-11-5-2-6-12-19/h1-6,8-9,11-13,15-16H,7,10,14H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide?
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).