1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C18H17ClN2O3 — CID 19115876

IUPAC1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCC(C)n1c(O)c(C(=O)c2ccc(Cl)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17ClN2O3/c1-4-10(2)21-17(23)14(9-20)11(3)15(18(21)24)16(22)12-5-7-13(19)8-6-12/h5-8,10,24H,4H2,1-3H3
InChIKeyUPKIVKRRNNPFGB-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.59
Rot. Bonds4

About 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115876) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115876
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCC(C)n1c(O)c(C(=O)c2ccc(Cl)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17ClN2O3/c1-4-10(2)21-17(23)14(9-20)11(3)15(18(21)24)16(22)12-5-7-13(19)8-6-12/h5-8,10,24H,4H2,1-3H3
InChIKeyUPKIVKRRNNPFGB-UHFFFAOYSA-N
XLogP3.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19115868
5-benzoyl-1-butan-2-yl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115867
1-butan-2-yl-6-hydroxy-4-methyl-2-oxo-5-(4-pentoxybenzoyl)pyridine-3-carbonitrile
CID 19115915
1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115957
1-butan-2-yl-5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669106
1-butan-2-yl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)propanoyl]pyridine-3-carbonitrile
CID 19115954
1-butan-2-yl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115976
1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115905
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115209
5-(4-tert-butylbenzoyl)-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116005
6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117340
1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115979

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115876) is 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCC(C)n1c(O)c(C(=O)c2ccc(Cl)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UPKIVKRRNNPFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-4-10(2)21-17(23)14(9-20)11(3)15(18(21)24)16(22)12-5-7-13(19)8-6-12/h5-8,10,24H,4H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 344.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).