(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide

C16H17N5O2 — CID 125006023

IUPAC(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccn1
InChIInChI=1S/C16H17N5O2/c1-17-15(23)16(13-11-18-8-9-20-13)6-4-10-21(16)14(22)12-5-2-3-7-19-12/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,23)/t16-/m0/s1
InChIKeyUDFSATKXFAGNOB-INIZCTEOSA-N
MW311.34 g/mol
LogP0.75
Rot. Bonds3

About (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 125006023) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID125006023
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccn1
InChIInChI=1S/C16H17N5O2/c1-17-15(23)16(13-11-18-8-9-20-13)6-4-10-21(16)14(22)12-5-2-3-7-19-12/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,23)/t16-/m0/s1
InChIKeyUDFSATKXFAGNOB-INIZCTEOSA-N
XLogP0.75
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 118740311
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245714
1-(2-cyclopropylacetyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245914
(2R)-1-ethyl-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991793
N-methyl-1-(2-morpholin-4-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245738
(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125012324
(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124970789
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125005876
[(4aS,9aS)-1,4a-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-5-yl]-pyridin-2-ylmethanone
CID 110141861
(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124948573

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide (CID 125006023) is (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)c1ccccn1.
What is the InChIKey of (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UDFSATKXFAGNOB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-17-15(23)16(13-11-18-8-9-20-13)6-4-10-21(16)14(22)12-5-2-3-7-19-12/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,17,23)/t16-/m0/s1.
What are the key properties of (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 125006023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).