2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide

C22H21N3O2 — CID 67153857

IUPAC2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c26-21(24-14-7-10-17-8-3-1-4-9-17)19-13-15-23-20(16-19)25-22(27)18-11-5-2-6-12-18/h1-6,8-9,11-13,15-16H,7,10,14H2,(H,24,26)(H,23,25,27)
InChIKeyIZRKEGWUYPUZGS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds7

About 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide

2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 67153857) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
PubChem CID67153857
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c26-21(24-14-7-10-17-8-3-1-4-9-17)19-13-15-23-20(16-19)25-22(27)18-11-5-2-6-12-18/h1-6,8-9,11-13,15-16H,7,10,14H2,(H,24,26)(H,23,25,27)
InChIKeyIZRKEGWUYPUZGS-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

N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide (CID 67153857) is 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide is O=C(NCCCc1ccccc1)c1ccnc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is IZRKEGWUYPUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(24-14-7-10-17-8-3-1-4-9-17)19-13-15-23-20(16-19)25-22(27)18-11-5-2-6-12-18/h1-6,8-9,11-13,15-16H,7,10,14H2,(H,24,26)(H,23,25,27).
What are the key properties of 2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide?
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide 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-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 67153857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).