N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

C22H25N5O4S — CID 23075782

IUPACN-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N(C)C(C)C)nc2OCc2cccnc2)cc1
InChIInChI=1S/C22H25N5O4S/c1-15(2)27(4)22(28)19-13-24-20(21(25-19)31-14-17-6-5-11-23-12-17)26-32(29,30)18-9-7-16(3)8-10-18/h5-13,15H,14H2,1-4H3,(H,24,26)
InChIKeyBBUNXWXAMPTGTL-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.04
Rot. Bonds8

About N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23075782) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23075782
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)N(C)C(C)C)nc2OCc2cccnc2)cc1
InChIInChI=1S/C22H25N5O4S/c1-15(2)27(4)22(28)19-13-24-20(21(25-19)31-14-17-6-5-11-23-12-17)26-32(29,30)18-9-7-16(3)8-10-18/h5-13,15H,14H2,1-4H3,(H,24,26)
InChIKeyBBUNXWXAMPTGTL-UHFFFAOYSA-N
XLogP3.04
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23075782) is N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)N(C)C(C)C)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is BBUNXWXAMPTGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-15(2)27(4)22(28)19-13-24-20(21(25-19)31-14-17-6-5-11-23-12-17)26-32(29,30)18-9-7-16(3)8-10-18/h5-13,15H,14H2,1-4H3,(H,24,26).
What are the key properties of N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23075782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).