(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C17H21N5O — CID 125012324

IUPAC(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(C)n1
InChIInChI=1S/C17H21N5O/c1-13-5-3-6-14(21-13)12-22-10-4-7-17(22,16(23)18-2)15-11-19-8-9-20-15/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,18,23)/t17-/m0/s1
InChIKeyVWRVGBYOIYPIPI-KRWDZBQOSA-N
MW311.39 g/mol
LogP1.42
Rot. Bonds4

About (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 125012324) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID125012324
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(C)n1
InChIInChI=1S/C17H21N5O/c1-13-5-3-6-14(21-13)12-22-10-4-7-17(22,16(23)18-2)15-11-19-8-9-20-15/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,18,23)/t17-/m0/s1
InChIKeyVWRVGBYOIYPIPI-KRWDZBQOSA-N
XLogP1.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 125012324) is (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(C)n1.
What is the InChIKey of (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is VWRVGBYOIYPIPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-5-3-6-14(21-13)12-22-10-4-7-17(22,16(23)18-2)15-11-19-8-9-20-15/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,18,23)/t17-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 125012324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).