2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide

C17H20N2O3 — CID 42883825

IUPAC2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
SMILESCC(OCCCNC(=O)c1ccc[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13(14-7-3-2-4-8-14)22-12-6-11-19-17(21)15-9-5-10-18-16(15)20/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyZQJCRECIXJDQGV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.27
Rot. Bonds7

About 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide

2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide (PubChem CID 42883825) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
PubChem CID42883825
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
SMILESCC(OCCCNC(=O)c1ccc[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13(14-7-3-2-4-8-14)22-12-6-11-19-17(21)15-9-5-10-18-16(15)20/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyZQJCRECIXJDQGV-UHFFFAOYSA-N
XLogP2.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.27
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

2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38036526
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide (CID 42883825) is 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide is CC(OCCCNC(=O)c1ccc[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide?
The InChIKey is ZQJCRECIXJDQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(14-7-3-2-4-8-14)22-12-6-11-19-17(21)15-9-5-10-18-16(15)20/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42883825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).