2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide

C17H17ClN2O2 — CID 154862185

IUPAC2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-10-6-7-20(2)17(22)15(10)19-16(21)14-9-13(14)11-4-3-5-12(18)8-11/h3-8,13-14H,9H2,1-2H3,(H,19,21)
InChIKeyFSDJYPMCPRLXTL-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.09
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 154862185) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID154862185
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-10-6-7-20(2)17(22)15(10)19-16(21)14-9-13(14)11-4-3-5-12(18)8-11/h3-8,13-14H,9H2,1-2H3,(H,19,21)
InChIKeyFSDJYPMCPRLXTL-UHFFFAOYSA-N
XLogP3.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide (CID 154862185) is 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide is Cc1ccn(C)c(=O)c1NC(=O)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is FSDJYPMCPRLXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-10-6-7-20(2)17(22)15(10)19-16(21)14-9-13(14)11-4-3-5-12(18)8-11/h3-8,13-14H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154862185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).