3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one

C11H16ClN3O — CID 137450140

IUPAC3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cc(Cl)cc(N)c2=O)CC1
InChIInChI=1S/C11H16ClN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h6-7,9H,2-5,13H2,1H3
InChIKeyAQVTWWGFAWFVND-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.35
Rot. Bonds1

About 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one

3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one (PubChem CID 137450140) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one
PubChem CID137450140
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cc(Cl)cc(N)c2=O)CC1
InChIInChI=1S/C11H16ClN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h6-7,9H,2-5,13H2,1H3
InChIKeyAQVTWWGFAWFVND-UHFFFAOYSA-N
XLogP1.35
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one (CID 137450140) is 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one is CN1CCC(n2cc(Cl)cc(N)c2=O)CC1.
What is the InChIKey of 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The InChIKey is AQVTWWGFAWFVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h6-7,9H,2-5,13H2,1H3.
What are the key properties of 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one has a molecular weight of 241.72 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1-(1-methylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 137450140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).