3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide

C17H22N6OS — CID 145468511

IUPAC3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide
SMILESCSc1ccc(N2CCC(N)CC2)c(NC(=O)c2nccnc2N)c1
InChIInChI=1S/C17H22N6OS/c1-25-12-2-3-14(23-8-4-11(18)5-9-23)13(10-12)22-17(24)15-16(19)21-7-6-20-15/h2-3,6-7,10-11H,4-5,8-9,18H2,1H3,(H2,19,21)(H,22,24)
InChIKeyIHCCPRKLCOHVGQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.96
Rot. Bonds4

About 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide

3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide (PubChem CID 145468511) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide
PubChem CID145468511
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide
SMILESCSc1ccc(N2CCC(N)CC2)c(NC(=O)c2nccnc2N)c1
InChIInChI=1S/C17H22N6OS/c1-25-12-2-3-14(23-8-4-11(18)5-9-23)13(10-12)22-17(24)15-16(19)21-7-6-20-15/h2-3,6-7,10-11H,4-5,8-9,18H2,1H3,(H2,19,21)(H,22,24)
InChIKeyIHCCPRKLCOHVGQ-UHFFFAOYSA-N
XLogP1.96
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide (CID 145468511) is 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide is CSc1ccc(N2CCC(N)CC2)c(NC(=O)c2nccnc2N)c1.
What is the InChIKey of 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide?
The InChIKey is IHCCPRKLCOHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-25-12-2-3-14(23-8-4-11(18)5-9-23)13(10-12)22-17(24)15-16(19)21-7-6-20-15/h2-3,6-7,10-11H,4-5,8-9,18H2,1H3,(H2,19,21)(H,22,24).
What are the key properties of 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide?
3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 145468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).