N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide

C16H18N2O3 — CID 2299540

IUPACN-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H18N2O3/c1-2-3-10-21-14-7-5-4-6-13(14)18-16(20)12-8-9-15(19)17-11-12/h4-9,11H,2-3,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyAYDARTOWEUNHAW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.81
Rot. Bonds6

About N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2299540) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2299540
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H18N2O3/c1-2-3-10-21-14-7-5-4-6-13(14)18-16(20)12-8-9-15(19)17-11-12/h4-9,11H,2-3,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyAYDARTOWEUNHAW-UHFFFAOYSA-N
XLogP2.81
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 2299540) is N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide is CCCCOc1ccccc1NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AYDARTOWEUNHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-3-10-21-14-7-5-4-6-13(14)18-16(20)12-8-9-15(19)17-11-12/h4-9,11H,2-3,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2299540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).