2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone

C17H21N5O — CID 124977060

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1
InChIInChI=1S/C17H21N5O/c1-21(12-14-4-2-6-18-10-14)13-17(23)22-9-3-5-16(22)15-11-19-7-8-20-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3/t16-/m1/s1
InChIKeyLJRPJWMCYMGIOA-MRXNPFEDSA-N
MW311.39 g/mol
LogP1.67
Rot. Bonds5

About 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone

2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 124977060) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
PubChem CID124977060
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1
InChIInChI=1S/C17H21N5O/c1-21(12-14-4-2-6-18-10-14)13-17(23)22-9-3-5-16(22)15-11-19-7-8-20-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3/t16-/m1/s1
InChIKeyLJRPJWMCYMGIOA-MRXNPFEDSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 125002734
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70782189
1-[(2R)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 124973857
1-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 124973858
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
2-[benzyl(methyl)amino]-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 51097378
3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
CID 124960482
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209
2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
CID 95707541
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone (CID 124977060) is 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone is CN(CC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is LJRPJWMCYMGIOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(12-14-4-2-6-18-10-14)13-17(23)22-9-3-5-16(22)15-11-19-7-8-20-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone?
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 311.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124977060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).