5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide

C13H22N4OS — CID 107377004

IUPAC5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)N(C)C(C)CCSC)cn1
InChIInChI=1S/C13H22N4OS/c1-5-14-12-9-15-11(8-16-12)13(18)17(3)10(2)6-7-19-4/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyLFBSDDROAUBRDG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.12
Rot. Bonds7

About 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide

5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 107377004) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID107377004
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)N(C)C(C)CCSC)cn1
InChIInChI=1S/C13H22N4OS/c1-5-14-12-9-15-11(8-16-12)13(18)17(3)10(2)6-7-19-4/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyLFBSDDROAUBRDG-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
5-hydrazinyl-N-methyl-N-pentan-2-ylpyrazine-2-carboxamide
CID 107377494
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115636242
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
5-(ethylamino)-N-pentan-2-ylpyrazine-2-carboxamide
CID 107373939
6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 62169431
6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113304887
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107374798
N-(cyclopropylmethyl)-5-(ethylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 107375257
5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2-carboxamide
CID 107377215
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
5-(ethylamino)-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 107375022

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide (CID 107377004) is 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide is CCNc1cnc(C(=O)N(C)C(C)CCSC)cn1.
What is the InChIKey of 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is LFBSDDROAUBRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-5-14-12-9-15-11(8-16-12)13(18)17(3)10(2)6-7-19-4/h8-10H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107377004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).