1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde

C10H13NO2 — CID 82526221

IUPAC1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde
SMILESCCn1c(C)cc(C)c(C=O)c1=O
InChIInChI=1S/C10H13NO2/c1-4-11-8(3)5-7(2)9(6-12)10(11)13/h5-6H,4H2,1-3H3
InChIKeyRSUQPULMTSUWOQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds2

About 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde

1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde (PubChem CID 82526221) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde
PubChem CID82526221
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde
SMILESCCn1c(C)cc(C)c(C=O)c1=O
InChIInChI=1S/C10H13NO2/c1-4-11-8(3)5-7(2)9(6-12)10(11)13/h5-6H,4H2,1-3H3
InChIKeyRSUQPULMTSUWOQ-UHFFFAOYSA-N
XLogP1.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one
CID 82526155
(E)-3-(4,6-dimethyl-2-oxo-1-propyl-3-pyridinyl)prop-2-enoic acid
CID 82525989
ethane;1-ethyl-2,3,5-trimethylpyrrole
CID 162748917
4-(bromomethyl)-1,3-diethyl-2,6-dioxopyrimidine-5-carbaldehyde
CID 82045561
3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
CID 20667463
1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802182
3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one
CID 82526194
1-benzyl-3,5-dimethylpyrrole-2-carbaldehyde
CID 20620924
1-ethyl-3-[1-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)cyclohexyl]-4-hydroxy-6-methylpyridin-2-one
CID 54677185
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77091531
1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83873436
2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 11054801

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde (CID 82526221) is 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde is CCn1c(C)cc(C)c(C=O)c1=O.
What is the InChIKey of 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is RSUQPULMTSUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-11-8(3)5-7(2)9(6-12)10(11)13/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde?
1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82526221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).