N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide

C22H23N3O — CID 15462164

IUPACN-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C22H23N3O/c26-22(24-14-6-9-18-7-2-1-3-8-18)20-10-4-5-11-21(20)25-17-19-12-15-23-16-13-19/h1-5,7-8,10-13,15-16,25H,6,9,14,17H2,(H,24,26)
InChIKeyAABFZMQDPNLFNO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.06
Rot. Bonds8

About N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide

N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 15462164) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID15462164
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C22H23N3O/c26-22(24-14-6-9-18-7-2-1-3-8-18)20-10-4-5-11-21(20)25-17-19-12-15-23-16-13-19/h1-5,7-8,10-13,15-16,25H,6,9,14,17H2,(H,24,26)
InChIKeyAABFZMQDPNLFNO-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.06
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-(benzylamino)-N-butylbenzamide
CID 86102037
methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
CID 75436256
2-(benzylamino)-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 162368751
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692643
1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976958
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide (CID 15462164) is N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide is O=C(NCCCc1ccccc1)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is AABFZMQDPNLFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(24-14-6-9-18-7-2-1-3-8-18)20-10-4-5-11-21(20)25-17-19-12-15-23-16-13-19/h1-5,7-8,10-13,15-16,25H,6,9,14,17H2,(H,24,26).
What are the key properties of N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide?
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 15462164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).