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

C12H18N2O3 — CID 125491199

IUPAC5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1[nH]c(=O)c(C(=O)NOC)cc1CC
InChIInChI=1S/C12H18N2O3/c1-4-6-10-8(5-2)7-9(11(15)13-10)12(16)14-17-3/h7H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyUTMXRCULEPSCEG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.18
Rot. Bonds5

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

5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide (PubChem CID 125491199) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide
PubChem CID125491199
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1[nH]c(=O)c(C(=O)NOC)cc1CC
InChIInChI=1S/C12H18N2O3/c1-4-6-10-8(5-2)7-9(11(15)13-10)12(16)14-17-3/h7H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyUTMXRCULEPSCEG-UHFFFAOYSA-N
XLogP1.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.18
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

N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491933
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
N-(cyanomethyl)-6-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490546
2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
CID 125473206
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
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-chloro-2-oxo-N-phenyl-6-propyl-1H-pyridine-3-carboxamide
CID 125490443
5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 125491409
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide (CID 125491199) is 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide is CCCc1[nH]c(=O)c(C(=O)NOC)cc1CC.
What is the InChIKey of 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The InChIKey is UTMXRCULEPSCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-6-10-8(5-2)7-9(11(15)13-10)12(16)14-17-3/h7H,4-6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).