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

C20H23Cl2NO3 — CID 15989789

IUPACcyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)cc2Cl)CC(=O)N1
InChIInChI=1S/C20H23Cl2NO3/c1-12-19(20(25)26-11-13-5-3-2-4-6-13)16(10-18(24)23-12)15-8-7-14(21)9-17(15)22/h7-9,13,16H,2-6,10-11H2,1H3,(H,23,24)
InChIKeyZSSVRKRYHJCRLI-UHFFFAOYSA-N
MW396.31 g/mol
LogP4.99
Rot. Bonds4

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

cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 15989789) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID15989789
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Namecyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)cc2Cl)CC(=O)N1
InChIInChI=1S/C20H23Cl2NO3/c1-12-19(20(25)26-11-13-5-3-2-4-6-13)16(10-18(24)23-12)15-8-7-14(21)9-17(15)22/h7-9,13,16H,2-6,10-11H2,1H3,(H,23,24)
InChIKeyZSSVRKRYHJCRLI-UHFFFAOYSA-N
XLogP4.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 15989789) is cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)cc2Cl)CC(=O)N1.
What is the InChIKey of cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is ZSSVRKRYHJCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-12-19(20(25)26-11-13-5-3-2-4-6-13)16(10-18(24)23-12)15-8-7-14(21)9-17(15)22/h7-9,13,16H,2-6,10-11H2,1H3,(H,23,24).
What are the key properties of cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 396.31 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 15989789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).