N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

C22H25N5O4S — CID 23076205

IUPACN,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C22H25N5O4S/c1-4-27(5-2)22(28)19-14-24-20(21(25-19)31-15-17-7-6-12-23-13-17)26-32(29,30)18-10-8-16(3)9-11-18/h6-14H,4-5,15H2,1-3H3,(H,24,26)
InChIKeyABRDATOVRBSTGX-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.04
Rot. Bonds9

About N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23076205) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23076205
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C22H25N5O4S/c1-4-27(5-2)22(28)19-14-24-20(21(25-19)31-15-17-7-6-12-23-13-17)26-32(29,30)18-10-8-16(3)9-11-18/h6-14H,4-5,15H2,1-3H3,(H,24,26)
InChIKeyABRDATOVRBSTGX-UHFFFAOYSA-N
XLogP3.04
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)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

Related Compounds

5-[(4-methylphenyl)sulfonylamino]-N-pyridin-4-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076094
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23075958
N-(4-methylpentan-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076058
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076029
N-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076151
4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076292
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075774
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23076205) is N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is CCN(CC)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1.
What is the InChIKey of N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is ABRDATOVRBSTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-4-27(5-2)22(28)19-14-24-20(21(25-19)31-15-17-7-6-12-23-13-17)26-32(29,30)18-10-8-16(3)9-11-18/h6-14H,4-5,15H2,1-3H3,(H,24,26).
What are the key properties of N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23076205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).