(2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C13H19N3O — CID 95804941

IUPAC(2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccc([C@]2(C(=O)N(C)C)CCCN2)n1
InChIInChI=1S/C13H19N3O/c1-10-6-4-7-11(15-10)13(8-5-9-14-13)12(17)16(2)3/h4,6-7,14H,5,8-9H2,1-3H3/t13-/m0/s1
InChIKeyXIWUEVSGFWJUNY-ZDUSSCGKSA-N
MW233.31 g/mol
LogP1.06
Rot. Bonds2

About (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 95804941) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID95804941
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccc([C@]2(C(=O)N(C)C)CCCN2)n1
InChIInChI=1S/C13H19N3O/c1-10-6-4-7-11(15-10)13(8-5-9-14-13)12(17)16(2)3/h4,6-7,14H,5,8-9H2,1-3H3/t13-/m0/s1
InChIKeyXIWUEVSGFWJUNY-ZDUSSCGKSA-N
XLogP1.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 95804941) is (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is Cc1cccc([C@]2(C(=O)N(C)C)CCCN2)n1.
What is the InChIKey of (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is XIWUEVSGFWJUNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-4-7-11(15-10)13(8-5-9-14-13)12(17)16(2)3/h4,6-7,14H,5,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95804941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).