5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one

C12H18ClN3O — CID 137449501

IUPAC5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one
SMILESCNc1cc(Cl)cn([C@@H]2CCCN(C)C2)c1=O
InChIInChI=1S/C12H18ClN3O/c1-14-11-6-9(13)7-16(12(11)17)10-4-3-5-15(2)8-10/h6-7,10,14H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyCZEZLRBKYDIWLX-SNVBAGLBSA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds2

About 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one

5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one (PubChem CID 137449501) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one
PubChem CID137449501
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one
SMILESCNc1cc(Cl)cn([C@@H]2CCCN(C)C2)c1=O
InChIInChI=1S/C12H18ClN3O/c1-14-11-6-9(13)7-16(12(11)17)10-4-3-5-15(2)8-10/h6-7,10,14H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyCZEZLRBKYDIWLX-SNVBAGLBSA-N
XLogP1.81
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
CID 45268244
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-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
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-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one (CID 137449501) is 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one is CNc1cc(Cl)cn([C@@H]2CCCN(C)C2)c1=O.
What is the InChIKey of 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one?
The InChIKey is CZEZLRBKYDIWLX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-14-11-6-9(13)7-16(12(11)17)10-4-3-5-15(2)8-10/h6-7,10,14H,3-5,8H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one?
5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one has a molecular weight of 255.75 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-1-[(3R)-1-methylpiperidin-3-yl]pyridin-2-one is sourced from PubChem (CID 137449501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).