cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C20H24ClNO3 — CID 15989813

IUPACcycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCCCC2)C(c2ccccc2Cl)CC(=O)N1
InChIInChI=1S/C20H24ClNO3/c1-13-19(20(24)25-14-8-4-2-3-5-9-14)16(12-18(23)22-13)15-10-6-7-11-17(15)21/h6-7,10-11,14,16H,2-5,8-9,12H2,1H3,(H,22,23)
InChIKeyZDDSYCKNDIRART-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.48
Rot. Bonds3

About cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 15989813) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namecycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID15989813
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Namecycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCCCC2)C(c2ccccc2Cl)CC(=O)N1
InChIInChI=1S/C20H24ClNO3/c1-13-19(20(24)25-14-8-4-2-3-5-9-14)16(12-18(23)22-13)15-10-6-7-11-17(15)21/h6-7,10-11,14,16H,2-5,8-9,12H2,1H3,(H,22,23)
InChIKeyZDDSYCKNDIRART-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 15989813) is cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC2CCCCCC2)C(c2ccccc2Cl)CC(=O)N1.
What is the InChIKey of cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is ZDDSYCKNDIRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-13-19(20(24)25-14-8-4-2-3-5-9-14)16(12-18(23)22-13)15-10-6-7-11-17(15)21/h6-7,10-11,14,16H,2-5,8-9,12H2,1H3,(H,22,23).
What are the key properties of cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 361.87 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 15989813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).