1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C16H16N2O4 — CID 19115357

IUPAC1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H16N2O4/c1-3-4-7-18-15(20)11(9-17)10(2)13(16(18)21)14(19)12-6-5-8-22-12/h5-6,8,21H,3-4,7H2,1-2H3
InChIKeyJNFLMZDIEPEKEQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.36
Rot. Bonds5

About 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115357) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115357
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H16N2O4/c1-3-4-7-18-15(20)11(9-17)10(2)13(16(18)21)14(19)12-6-5-8-22-12/h5-6,8,21H,3-4,7H2,1-2H3
InChIKeyJNFLMZDIEPEKEQ-UHFFFAOYSA-N
XLogP2.36
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117096
5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115624
5-(4-bromobenzoyl)-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118689
1-butyl-5-(4-hexoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115381
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115536
5-(3-ethoxybenzoyl)-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118752
1-hexyl-6-hydroxy-4-methyl-2-oxo-5-(3-propoxybenzoyl)pyridine-3-carbonitrile
CID 19118753
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115209
6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116806
5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115507
1-butyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115348
1-hexyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118774

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115357) is 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCCCn1c(O)c(C(=O)c2ccco2)c(C)c(C#N)c1=O.
What is the InChIKey of 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JNFLMZDIEPEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-4-7-18-15(20)11(9-17)10(2)13(16(18)21)14(19)12-6-5-8-22-12/h5-6,8,21H,3-4,7H2,1-2H3.
What are the key properties of 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 300.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).