6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one

C14H13ClN2O — CID 18969140

IUPAC6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one
SMILESNc1cc(-c2cccc(Cl)c2)cc(=O)n1C1CC1
InChIInChI=1S/C14H13ClN2O/c15-11-3-1-2-9(6-11)10-7-13(16)17(12-4-5-12)14(18)8-10/h1-3,6-8,12H,4-5,16H2
InChIKeyITVIKKQEVPRECM-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.09
Rot. Bonds2

About 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one

6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one (PubChem CID 18969140) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one
PubChem CID18969140
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one
SMILESNc1cc(-c2cccc(Cl)c2)cc(=O)n1C1CC1
InChIInChI=1S/C14H13ClN2O/c15-11-3-1-2-9(6-11)10-7-13(16)17(12-4-5-12)14(18)8-10/h1-3,6-8,12H,4-5,16H2
InChIKeyITVIKKQEVPRECM-UHFFFAOYSA-N
XLogP3.09
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one?
The IUPAC name of 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one (CID 18969140) is 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one?
The canonical SMILES for 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one is Nc1cc(-c2cccc(Cl)c2)cc(=O)n1C1CC1.
What is the InChIKey of 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one?
The InChIKey is ITVIKKQEVPRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-11-3-1-2-9(6-11)10-7-13(16)17(12-4-5-12)14(18)8-10/h1-3,6-8,12H,4-5,16H2.
What are the key properties of 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one?
6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one has a molecular weight of 260.72 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 18969140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).