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

C19H25N3O — CID 109174754

IUPAC2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCCCc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)18-15-17(12-14-20-18)19(23)21-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,12,14-15H,3-4,8,11,13H2,1-2H3,(H,21,23)
InChIKeyHIEFEKRYQIFLFL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.29
Rot. Bonds8

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

2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 109174754) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
PubChem CID109174754
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCCCc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)18-15-17(12-14-20-18)19(23)21-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,12,14-15H,3-4,8,11,13H2,1-2H3,(H,21,23)
InChIKeyHIEFEKRYQIFLFL-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.29
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

2-(diethylamino)-N-pentylpyridine-4-carboxamide
CID 109174759
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109171578
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
CID 109087067
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
CID 37245133
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide (CID 109174754) is 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide is CCN(CC)c1cc(C(=O)NCCCc2ccccc2)ccn1.
What is the InChIKey of 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is HIEFEKRYQIFLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-22(4-2)18-15-17(12-14-20-18)19(23)21-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,12,14-15H,3-4,8,11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide?
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109174754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).