5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C19H26N2O3 — CID 19115046

IUPAC5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)CC1
InChIInChI=1S/C19H26N2O3/c1-4-5-6-13-7-9-14(10-8-13)17(22)16-12(2)15(11-20)18(23)21(3)19(16)24/h13-14,24H,4-10H2,1-3H3
InChIKeyFXRHZPWRHPSXPW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.45
Rot. Bonds5

About 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115046) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19115046
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)CC1
InChIInChI=1S/C19H26N2O3/c1-4-5-6-13-7-9-14(10-8-13)17(22)16-12(2)15(11-20)18(23)21(3)19(16)24/h13-14,24H,4-10H2,1-3H3
InChIKeyFXRHZPWRHPSXPW-UHFFFAOYSA-N
XLogP3.45
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19115046) is 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is CCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)CC1.
What is the InChIKey of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FXRHZPWRHPSXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-5-6-13-7-9-14(10-8-13)17(22)16-12(2)15(11-20)18(23)21(3)19(16)24/h13-14,24H,4-10H2,1-3H3.
What are the key properties of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 330.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).