(2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C12H17N3O — CID 95804940

IUPAC(2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2cccc(C)n2)CCCN1
InChIInChI=1S/C12H17N3O/c1-9-5-3-6-10(15-9)12(11(16)13-2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3,(H,13,16)/t12-/m1/s1
InChIKeyXKPAAKHRJXUECP-GFCCVEGCSA-N
MW219.29 g/mol
LogP0.71
Rot. Bonds2

About (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 95804940) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID95804940
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2cccc(C)n2)CCCN1
InChIInChI=1S/C12H17N3O/c1-9-5-3-6-10(15-9)12(11(16)13-2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3,(H,13,16)/t12-/m1/s1
InChIKeyXKPAAKHRJXUECP-GFCCVEGCSA-N
XLogP0.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 95804940) is (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is CNC(=O)[C@]1(c2cccc(C)n2)CCCN1.
What is the InChIKey of (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is XKPAAKHRJXUECP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-5-3-6-10(15-9)12(11(16)13-2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3,(H,13,16)/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95804940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).