N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide

C15H18N4OS — CID 107643075

IUPACN-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ccccc2SC)cn1
InChIInChI=1S/C15H18N4OS/c1-3-8-16-14-10-17-12(9-18-14)15(20)19-11-6-4-5-7-13(11)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKQEZOIKAAMBOAT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.27
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide

N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107643075) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107643075
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ccccc2SC)cn1
InChIInChI=1S/C15H18N4OS/c1-3-8-16-14-10-17-12(9-18-14)15(20)19-11-6-4-5-7-13(11)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKQEZOIKAAMBOAT-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
5-(3-methylbutylamino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109287893
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
5-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109287909
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107643075) is N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2ccccc2SC)cn1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is KQEZOIKAAMBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-8-16-14-10-17-12(9-18-14)15(20)19-11-6-4-5-7-13(11)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107643075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).