1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

C23H23N3O2 — CID 109055074

IUPAC1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H23N3O2/c27-22(25-14-6-9-18-7-2-1-3-8-18)20-11-4-12-21(15-20)23(28)26-17-19-10-5-13-24-16-19/h1-5,7-8,10-13,15-16H,6,9,14,17H2,(H,25,27)(H,26,28)
InChIKeyUXGWJSDSSQWYNF-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.37
Rot. Bonds8

About 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109055074) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109055074
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H23N3O2/c27-22(25-14-6-9-18-7-2-1-3-8-18)20-11-4-12-21(15-20)23(28)26-17-19-10-5-13-24-16-19/h1-5,7-8,10-13,15-16H,6,9,14,17H2,(H,25,27)(H,26,28)
InChIKeyUXGWJSDSSQWYNF-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.37
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

3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
1-N-(pyridin-1-ium-3-ylmethyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 3619062
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055063
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (CID 109055074) is 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCCCc1ccccc1)c1cccc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is UXGWJSDSSQWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(25-14-6-9-18-7-2-1-3-8-18)20-11-4-12-21(15-20)23(28)26-17-19-10-5-13-24-16-19/h1-5,7-8,10-13,15-16H,6,9,14,17H2,(H,25,27)(H,26,28).
What are the key properties of 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).