6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 125490540

IUPAC6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
SMILESC=CCONC(=O)c1cc(C)c(CC)[nH]c1=O
InChIInChI=1S/C12H16N2O3/c1-4-6-17-14-12(16)9-7-8(3)10(5-2)13-11(9)15/h4,7H,1,5-6H2,2-3H3,(H,13,15)(H,14,16)
InChIKeyHKDMPFHPAVTPER-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds5

About 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide

6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide (PubChem CID 125490540) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
PubChem CID125490540
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
SMILESC=CCONC(=O)c1cc(C)c(CC)[nH]c1=O
InChIInChI=1S/C12H16N2O3/c1-4-6-17-14-12(16)9-7-8(3)10(5-2)13-11(9)15/h4,7H,1,5-6H2,2-3H3,(H,13,15)(H,14,16)
InChIKeyHKDMPFHPAVTPER-UHFFFAOYSA-N
XLogP1.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491105
5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491454
N-ethoxy-6-ethyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491933
N-(3-ethoxypropyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490909
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
5-ethyl-N-methoxy-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491199
6-ethyl-5-methyl-N-(2-methyl-1-piperazin-1-ylpropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 155962155
6-ethyl-5-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 167868911
5-chloro-6-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491261
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
6-ethyl-N-methyl-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490900

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide (CID 125490540) is 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide is C=CCONC(=O)c1cc(C)c(CC)[nH]c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The InChIKey is HKDMPFHPAVTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-6-17-14-12(16)9-7-8(3)10(5-2)13-11(9)15/h4,7H,1,5-6H2,2-3H3,(H,13,15)(H,14,16).
What are the key properties of 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).