5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide

C10H14ClN3OS — CID 107257777

IUPAC5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
SMILESCSCCC(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3OS/c1-7(3-4-16-2)14-10(15)8-5-13-9(11)6-12-8/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyLUKLWENLXFSPGW-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.00
Rot. Bonds5

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

5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 107257777) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID107257777
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
SMILESCSCCC(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3OS/c1-7(3-4-16-2)14-10(15)8-5-13-9(11)6-12-8/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyLUKLWENLXFSPGW-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
5-chloro-N-[5-(diethylamino)pentan-2-yl]pyrazine-2-carboxamide
CID 107252414
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685710
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
5-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyrazine-2-carboxamide
CID 107376850
5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
CID 122604026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide (CID 107257777) is 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide is CSCCC(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is LUKLWENLXFSPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-7(3-4-16-2)14-10(15)8-5-13-9(11)6-12-8/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107257777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).