5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one

C11H14ClN3O — CID 64669595

IUPAC5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncccc2Cl)CCC1=O
InChIInChI=1S/C11H14ClN3O/c1-15-7-8(4-5-10(15)16)14-11-9(12)3-2-6-13-11/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)
InChIKeyZABGOBDCSKKBEU-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.77
Rot. Bonds2

About 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one

5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one (PubChem CID 64669595) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
PubChem CID64669595
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncccc2Cl)CCC1=O
InChIInChI=1S/C11H14ClN3O/c1-15-7-8(4-5-10(15)16)14-11-9(12)3-2-6-13-11/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)
InChIKeyZABGOBDCSKKBEU-UHFFFAOYSA-N
XLogP1.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one (CID 64669595) is 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncccc2Cl)CCC1=O.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The InChIKey is ZABGOBDCSKKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-15-7-8(4-5-10(15)16)14-11-9(12)3-2-6-13-11/h2-3,6,8H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64669595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).