N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide

C17H21N3O2 — CID 51186413

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc[nH]c1=O)Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-20(2)14(11-13-7-4-3-5-8-13)12-19-17(22)15-9-6-10-18-16(15)21/h3-10,14H,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZQGPHMXXLJDBRF-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 51186413) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID51186413
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc[nH]c1=O)Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-20(2)14(11-13-7-4-3-5-8-13)12-19-17(22)15-9-6-10-18-16(15)21/h3-10,14H,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZQGPHMXXLJDBRF-UHFFFAOYSA-N
XLogP1.28
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 65219302
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 66167281
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
CID 34957506
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide (CID 51186413) is N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide is CN(C)C(CNC(=O)c1ccc[nH]c1=O)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZQGPHMXXLJDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(2)14(11-13-7-4-3-5-8-13)12-19-17(22)15-9-6-10-18-16(15)21/h3-10,14H,11-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51186413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).