5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide

C12H18N4OS — CID 114124411

IUPAC5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC2CCC(SC)C2)cn1
InChIInChI=1S/C12H18N4OS/c1-13-11-7-14-10(6-15-11)12(17)16-8-3-4-9(5-8)18-2/h6-9H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyPVOLUJMOPLTADW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.53
Rot. Bonds4

About 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide

5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide (PubChem CID 114124411) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
PubChem CID114124411
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC2CCC(SC)C2)cn1
InChIInChI=1S/C12H18N4OS/c1-13-11-7-14-10(6-15-11)12(17)16-8-3-4-9(5-8)18-2/h6-9H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyPVOLUJMOPLTADW-UHFFFAOYSA-N
XLogP1.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423
N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375834
5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide
CID 107375956
[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238348
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
6-amino-N-(3-methylsulfanylcyclohexyl)pyridine-2-carboxamide;hydrochloride
CID 119999169
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide (CID 114124411) is 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide is CNc1cnc(C(=O)NC2CCC(SC)C2)cn1.
What is the InChIKey of 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide?
The InChIKey is PVOLUJMOPLTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-13-11-7-14-10(6-15-11)12(17)16-8-3-4-9(5-8)18-2/h6-9H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide?
5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114124411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).