N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide

C13H20N2O3 — CID 125491933

IUPACN-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1cc(C(=O)NOCC)c(=O)[nH]c1CC
InChIInChI=1S/C13H20N2O3/c1-4-7-9-8-10(13(17)15-18-6-3)12(16)14-11(9)5-2/h8H,4-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIZZVYUUXFPYAGT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.57
Rot. Bonds6

About N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide

N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide (PubChem CID 125491933) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
PubChem CID125491933
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1cc(C(=O)NOCC)c(=O)[nH]c1CC
InChIInChI=1S/C13H20N2O3/c1-4-7-9-8-10(13(17)15-18-6-3)12(16)14-11(9)5-2/h8H,4-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIZZVYUUXFPYAGT-UHFFFAOYSA-N
XLogP1.57
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-N-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490900
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491199
6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125490540
N-[(1S)-1-cyclopropylethyl]-5,6-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490222
5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 125491409
N-(cyanomethyl)-6-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490546
5-chloro-6-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491261
6-methyl-N-[(2R)-2-methylbutyl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491181
N-(3-ethoxypropyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490909
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125490940

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide (CID 125491933) is N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide is CCCc1cc(C(=O)NOCC)c(=O)[nH]c1CC.
What is the InChIKey of N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
The InChIKey is IZZVYUUXFPYAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-7-9-8-10(13(17)15-18-6-3)12(16)14-11(9)5-2/h8H,4-7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide?
N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).