5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide

C23H25N3O — CID 109194856

IUPAC5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C23H25N3O/c1-2-26(20-13-7-4-8-14-20)21-15-16-22(25-18-21)23(27)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3,(H,24,27)
InChIKeyDKCJDJMPSDKKGS-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.60
Rot. Bonds8

About 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide

5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109194856) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109194856
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C23H25N3O/c1-2-26(20-13-7-4-8-14-20)21-15-16-22(25-18-21)23(27)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3,(H,24,27)
InChIKeyDKCJDJMPSDKKGS-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(N-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192755
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
5-(N-ethylanilino)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109198416
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109198553
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
5-(N-benzylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191562

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109194856) is 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide is CCN(c1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nc1.
What is the InChIKey of 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is DKCJDJMPSDKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-26(20-13-7-4-8-14-20)21-15-16-22(25-18-21)23(27)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3,(H,24,27).
What are the key properties of 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).