3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide

C18H24N6O3S — CID 56947174

IUPAC3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NCC3CCNCC3)n2)c1
InChIInChI=1S/C18H24N6O3S/c1-28(26,27)24-14-4-2-3-13(9-14)15-11-21-17(19)16(23-15)18(25)22-10-12-5-7-20-8-6-12/h2-4,9,11-12,20,24H,5-8,10H2,1H3,(H2,19,21)(H,22,25)
InChIKeyUCJDFWBCXROCMH-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.83
Rot. Bonds6

About 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide

3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 56947174) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID56947174
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NCC3CCNCC3)n2)c1
InChIInChI=1S/C18H24N6O3S/c1-28(26,27)24-14-4-2-3-13(9-14)15-11-21-17(19)16(23-15)18(25)22-10-12-5-7-20-8-6-12/h2-4,9,11-12,20,24H,5-8,10H2,1H3,(H2,19,21)(H,22,25)
InChIKeyUCJDFWBCXROCMH-UHFFFAOYSA-N
XLogP0.83
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide (CID 56947174) is 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide is CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NCC3CCNCC3)n2)c1.
What is the InChIKey of 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is UCJDFWBCXROCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-28(26,27)24-14-4-2-3-13(9-14)15-11-21-17(19)16(23-15)18(25)22-10-12-5-7-20-8-6-12/h2-4,9,11-12,20,24H,5-8,10H2,1H3,(H2,19,21)(H,22,25).
What are the key properties of 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(methanesulfonamido)phenyl]-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 56947174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).