5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C19H18ClN3O2 — CID 135669111

IUPAC5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc(Cl)cc2)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C19H18ClN3O2/c1-12-16(10-21)18(24)23(15-4-2-3-5-15)19(25)17(12)11-22-14-8-6-13(20)7-9-14/h6-9,11,15,25H,2-5H2,1H3/b22-11+
InChIKeyCVBJCLPYNMXLEL-SSDVNMTOSA-N
MW355.83 g/mol
LogP4.25
Rot. Bonds3

About 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 135669111) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID135669111
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc(Cl)cc2)c(O)n(C2CCCC2)c(=O)c1C#N
InChIInChI=1S/C19H18ClN3O2/c1-12-16(10-21)18(24)23(15-4-2-3-5-15)19(25)17(12)11-22-14-8-6-13(20)7-9-14/h6-9,11,15,25H,2-5H2,1H3/b22-11+
InChIKeyCVBJCLPYNMXLEL-SSDVNMTOSA-N
XLogP4.25
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 135669111) is 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(/C=N/c2ccc(Cl)cc2)c(O)n(C2CCCC2)c(=O)c1C#N.
What is the InChIKey of 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CVBJCLPYNMXLEL-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-16(10-21)18(24)23(15-4-2-3-5-15)19(25)17(12)11-22-14-8-6-13(20)7-9-14/h6-9,11,15,25H,2-5H2,1H3/b22-11+.
What are the key properties of 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 355.83 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135669111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).