1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C20H22Cl2N2O3 — CID 19116161

IUPAC1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C2C(C=C(Cl)Cl)C2(C)C)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C20H22Cl2N2O3/c1-10-12(9-23)18(26)24(11-6-4-5-7-11)19(27)15(10)17(25)16-13(8-14(21)22)20(16,2)3/h8,11,13,16,27H,4-7H2,1-3H3
InChIKeyCXMBQMLOCQOFQC-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.62
Rot. Bonds4

About 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116161) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116161
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C2C(C=C(Cl)Cl)C2(C)C)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C20H22Cl2N2O3/c1-10-12(9-23)18(26)24(11-6-4-5-7-11)19(27)15(10)17(25)16-13(8-14(21)22)20(16,2)3/h8,11,13,16,27H,4-7H2,1-3H3
InChIKeyCXMBQMLOCQOFQC-UHFFFAOYSA-N
XLogP4.62
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116161) is 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)C2C(C=C(Cl)Cl)C2(C)C)c(O)n(C2CCCC2)c(=O)c1C#N.
What is the InChIKey of 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CXMBQMLOCQOFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-10-12(9-23)18(26)24(11-6-4-5-7-11)19(27)15(10)17(25)16-13(8-14(21)22)20(16,2)3/h8,11,13,16,27H,4-7H2,1-3H3.
What are the key properties of 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 409.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).