6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

C18H21NO5 — CID 146342580

IUPAC6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCCCCc1[nH]c(=O)c(C=O)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C18H21NO5/c1-4-5-7-12-15(17(21)11(10-20)18(22)19-12)16-13(23-2)8-6-9-14(16)24-3/h6,8-10H,4-5,7H2,1-3H3,(H2,19,21,22)
InChIKeyDZMLSIMIGGSQBJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.92
Rot. Bonds7

About 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 146342580) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID146342580
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCCCCc1[nH]c(=O)c(C=O)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C18H21NO5/c1-4-5-7-12-15(17(21)11(10-20)18(22)19-12)16-13(23-2)8-6-9-14(16)24-3/h6,8-10H,4-5,7H2,1-3H3,(H2,19,21,22)
InChIKeyDZMLSIMIGGSQBJ-UHFFFAOYSA-N
XLogP2.92
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonyl)-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 146222359
propyl 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboximidate
CID 145200805
6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-4H-pyrazol-3-yl)-4-hydroxy-1H-pyridin-2-one
CID 145200862
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 137304670
6-butyl-3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106167
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
3-acetyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one;octan-4-yloxybenzene
CID 145296638
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032147
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 129032287
6-butyl-3-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032297
2-[[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]amino]-3-cyclohexylpropanoic acid
CID 135354500

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 146342580) is 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is CCCCc1[nH]c(=O)c(C=O)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is DZMLSIMIGGSQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-4-5-7-12-15(17(21)11(10-20)18(22)19-12)16-13(23-2)8-6-9-14(16)24-3/h6,8-10H,4-5,7H2,1-3H3,(H2,19,21,22).
What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 331.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 146342580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).