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

C11H16ClN3O — CID 137450638

IUPAC3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one
SMILESCN1CCCC(n2cc(Cl)cc(N)c2=O)C1
InChIInChI=1S/C11H16ClN3O/c1-14-4-2-3-9(7-14)15-6-8(12)5-10(13)11(15)16/h5-6,9H,2-4,7,13H2,1H3
InChIKeyXMZGHCBRBSAIQW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.35
Rot. Bonds1

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

3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one (PubChem CID 137450638) 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-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one
PubChem CID137450638
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one
SMILESCN1CCCC(n2cc(Cl)cc(N)c2=O)C1
InChIInChI=1S/C11H16ClN3O/c1-14-4-2-3-9(7-14)15-6-8(12)5-10(13)11(15)16/h5-6,9H,2-4,7,13H2,1H3
InChIKeyXMZGHCBRBSAIQW-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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Related Compounds

5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449100
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449107
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449525
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449526
3-amino-1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137449694
3-Amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 137450325
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450536
3-Amino-1-[1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
CID 137450622
3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450744

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one (CID 137450638) is 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one is CN1CCCC(n2cc(Cl)cc(N)c2=O)C1.
What is the InChIKey of 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one?
The InChIKey is XMZGHCBRBSAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-14-4-2-3-9(7-14)15-6-8(12)5-10(13)11(15)16/h5-6,9H,2-4,7,13H2,1H3.
What are the key properties of 3-amino-5-chloro-1-(1-methylpiperidin-3-yl)pyridin-2-one?
3-amino-5-chloro-1-(1-methylpiperidin-3-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-3-yl)pyridin-2-one is sourced from PubChem (CID 137450638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).