(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one

C11H14ClN3O — CID 166271449

IUPAC(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESCc1ccnc(NC[C@H]2CCC(=O)N2)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-7-4-5-13-11(10(7)12)14-6-8-2-3-9(16)15-8/h4-5,8H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyLRNYIUGBDYGMRO-MRVPVSSYSA-N
MW239.71 g/mol
LogP1.73
Rot. Bonds3

About (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one

(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one (PubChem CID 166271449) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
PubChem CID166271449
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESCc1ccnc(NC[C@H]2CCC(=O)N2)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-7-4-5-13-11(10(7)12)14-6-8-2-3-9(16)15-8/h4-5,8H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyLRNYIUGBDYGMRO-MRVPVSSYSA-N
XLogP1.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one (CID 166271449) is (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one is Cc1ccnc(NC[C@H]2CCC(=O)N2)c1Cl.
What is the InChIKey of (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is LRNYIUGBDYGMRO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7-4-5-13-11(10(7)12)14-6-8-2-3-9(16)15-8/h4-5,8H,2-3,6H2,1H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166271449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).