(2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C13H19N3O2 — CID 75523371

IUPAC(2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCC[C@@H]2CO)c1
InChIInChI=1S/C13H19N3O2/c1-9-6-10(2)14-12(7-9)15-13(18)16-5-3-4-11(16)8-17/h6-7,11,17H,3-5,8H2,1-2H3,(H,14,15,18)/t11-/m1/s1
InChIKeyMNSSAQQXOLDWIV-LLVKDONJSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds2

About (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 75523371) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID75523371
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCC[C@@H]2CO)c1
InChIInChI=1S/C13H19N3O2/c1-9-6-10(2)14-12(7-9)15-13(18)16-5-3-4-11(16)8-17/h6-7,11,17H,3-5,8H2,1-2H3,(H,14,15,18)/t11-/m1/s1
InChIKeyMNSSAQQXOLDWIV-LLVKDONJSA-N
XLogP1.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 75523371) is (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1cc(C)nc(NC(=O)N2CCC[C@@H]2CO)c1.
What is the InChIKey of (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is MNSSAQQXOLDWIV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-10(2)14-12(7-9)15-13(18)16-5-3-4-11(16)8-17/h6-7,11,17H,3-5,8H2,1-2H3,(H,14,15,18)/t11-/m1/s1.
What are the key properties of (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,6-dimethyl-2-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75523371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).