(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C17H21N5O — CID 124986361

IUPAC(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccnc1
InChIInChI=1S/C17H21N5O/c1-21(2)16(23)17(15-12-19-8-9-20-15)6-4-10-22(17)13-14-5-3-7-18-11-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3/t17-/m0/s1
InChIKeyNYCNWVFUZKKOLF-KRWDZBQOSA-N
MW311.39 g/mol
LogP1.45
Rot. Bonds4

About (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 124986361) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID124986361
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccnc1
InChIInChI=1S/C17H21N5O/c1-21(2)16(23)17(15-12-19-8-9-20-15)6-4-10-22(17)13-14-5-3-7-18-11-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3/t17-/m0/s1
InChIKeyNYCNWVFUZKKOLF-KRWDZBQOSA-N
XLogP1.45
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 124983217
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124963497
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
(2R)-N,N-dimethyl-1-[(2-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylpyrrolidine-2-carboxamide
CID 129458042
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125005876
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245716

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 124986361) is (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccnc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NYCNWVFUZKKOLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)16(23)17(15-12-19-8-9-20-15)6-4-10-22(17)13-14-5-3-7-18-11-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124986361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).