2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide

C20H19N3O2 — CID 58692643

IUPAC2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C20H19N3O2/c24-19(22-10-4-7-15-5-2-1-3-6-15)18-13-17(14-23-20(18)25)16-8-11-21-12-9-16/h1-3,5-6,8-9,11-14H,4,7,10H2,(H,22,24)(H,23,25)
InChIKeyWAHVDPROUSWZPQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.80
Rot. Bonds6

About 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide

2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 58692643) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID58692643
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C20H19N3O2/c24-19(22-10-4-7-15-5-2-1-3-6-15)18-13-17(14-23-20(18)25)16-8-11-21-12-9-16/h1-3,5-6,8-9,11-14H,4,7,10H2,(H,22,24)(H,23,25)
InChIKeyWAHVDPROUSWZPQ-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.80
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

N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692675
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
6-(3-chlorophenyl)-4-oxo-N-(3-phenylpropyl)-3H-quinazoline-7-carboxamide
CID 156788055
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026533

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 58692643) is 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1cc(-c2ccncc2)c[nH]c1=O.
What is the InChIKey of 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is WAHVDPROUSWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(22-10-4-7-15-5-2-1-3-6-15)18-13-17(14-23-20(18)25)16-8-11-21-12-9-16/h1-3,5-6,8-9,11-14H,4,7,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-phenylpropyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 58692643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).