5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C20H19BrN2O3 — CID 19116280

IUPAC5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccc(Br)cc2)c(O)n(C2CCCCC2)c(=O)c1C#N
InChIInChI=1S/C20H19BrN2O3/c1-12-16(11-22)19(25)23(15-5-3-2-4-6-15)20(26)17(12)18(24)13-7-9-14(21)10-8-13/h7-10,15,26H,2-6H2,1H3
InChIKeyPSEPEPQGHMQNDF-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.23
Rot. Bonds3

About 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116280) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116280
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccc(Br)cc2)c(O)n(C2CCCCC2)c(=O)c1C#N
InChIInChI=1S/C20H19BrN2O3/c1-12-16(11-22)19(25)23(15-5-3-2-4-6-15)20(26)17(12)18(24)13-7-9-14(21)10-8-13/h7-10,15,26H,2-6H2,1H3
InChIKeyPSEPEPQGHMQNDF-UHFFFAOYSA-N
XLogP4.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116280) is 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)c2ccc(Br)cc2)c(O)n(C2CCCCC2)c(=O)c1C#N.
What is the InChIKey of 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is PSEPEPQGHMQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-12-16(11-22)19(25)23(15-5-3-2-4-6-15)20(26)17(12)18(24)13-7-9-14(21)10-8-13/h7-10,15,26H,2-6H2,1H3.
What are the key properties of 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 415.29 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).