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

C12H18ClN3O — CID 139373401

IUPAC5-chloro-3-(methylamino)-1-[(3S)-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-/m0/s1
InChIKeyCZEZLRBKYDIWLX-JTQLQIEISA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds2

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

5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one (PubChem CID 139373401) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one
PubChem CID139373401
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-3-(methylamino)-1-[(3S)-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-/m0/s1
InChIKeyCZEZLRBKYDIWLX-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one (CID 139373401) is 5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-1-[(3S)-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-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one?
The InChIKey is CZEZLRBKYDIWLX-JTQLQIEISA-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-/m0/s1.
What are the key properties of 5-chloro-3-(methylamino)-1-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one?
5-chloro-3-(methylamino)-1-[(3S)-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-[(3S)-1-methylpiperidin-3-yl]pyridin-2-one is sourced from PubChem (CID 139373401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).