5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide

C18H23N5O4S — CID 66643257

IUPAC5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(Nc2nc(NC3CCC(O)CC3)cnc2C(N)=O)c1
InChIInChI=1S/C18H23N5O4S/c1-28(26,27)14-4-2-3-12(9-14)22-18-16(17(19)25)20-10-15(23-18)21-11-5-7-13(24)8-6-11/h2-4,9-11,13,24H,5-8H2,1H3,(H2,19,25)(H2,21,22,23)
InChIKeyKMCDJPGNOHVWLW-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.44
Rot. Bonds6

About 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide

5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide (PubChem CID 66643257) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
PubChem CID66643257
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(Nc2nc(NC3CCC(O)CC3)cnc2C(N)=O)c1
InChIInChI=1S/C18H23N5O4S/c1-28(26,27)14-4-2-3-12(9-14)22-18-16(17(19)25)20-10-15(23-18)21-11-5-7-13(24)8-6-11/h2-4,9-11,13,24H,5-8H2,1H3,(H2,19,25)(H2,21,22,23)
InChIKeyKMCDJPGNOHVWLW-UHFFFAOYSA-N
XLogP1.44
TPSA147.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide (CID 66643257) is 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide is CS(=O)(=O)c1cccc(Nc2nc(NC3CCC(O)CC3)cnc2C(N)=O)c1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide?
The InChIKey is KMCDJPGNOHVWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-28(26,27)14-4-2-3-12(9-14)22-18-16(17(19)25)20-10-15(23-18)21-11-5-7-13(24)8-6-11/h2-4,9-11,13,24H,5-8H2,1H3,(H2,19,25)(H2,21,22,23).
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide?
5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 66643257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).