3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one

C14H12Cl2N2O — CID 82466970

IUPAC3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one
SMILESNc1ccc(-c2cc(Cl)ccc2Cl)n(C2CC2)c1=O
InChIInChI=1S/C14H12Cl2N2O/c15-8-1-4-11(16)10(7-8)13-6-5-12(17)14(19)18(13)9-2-3-9/h1,4-7,9H,2-3,17H2
InChIKeyNKGNSQMDBAFISP-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.74
Rot. Bonds2

About 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one

3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one (PubChem CID 82466970) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one
PubChem CID82466970
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one
SMILESNc1ccc(-c2cc(Cl)ccc2Cl)n(C2CC2)c1=O
InChIInChI=1S/C14H12Cl2N2O/c15-8-1-4-11(16)10(7-8)13-6-5-12(17)14(19)18(13)9-2-3-9/h1,4-7,9H,2-3,17H2
InChIKeyNKGNSQMDBAFISP-UHFFFAOYSA-N
XLogP3.74
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one (CID 82466970) is 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one is Nc1ccc(-c2cc(Cl)ccc2Cl)n(C2CC2)c1=O.
What is the InChIKey of 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one?
The InChIKey is NKGNSQMDBAFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-8-1-4-11(16)10(7-8)13-6-5-12(17)14(19)18(13)9-2-3-9/h1,4-7,9H,2-3,17H2.
What are the key properties of 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one?
3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one has a molecular weight of 295.17 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one is sourced from PubChem (CID 82466970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).