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

C24H25N5O4S — CID 23075800

IUPAC5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C24H25N5O4S/c1-4-13-29(14-5-2)24(30)21-16-26-22(23(27-21)33-17-19-7-6-12-25-15-19)28-34(31,32)20-10-8-18(3)9-11-20/h4-12,15-16H,1-2,13-14,17H2,3H3,(H,26,28)
InChIKeyQKLVVTOXCFSFKV-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.37
Rot. Bonds11

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

5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23075800) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23075800
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C24H25N5O4S/c1-4-13-29(14-5-2)24(30)21-16-26-22(23(27-21)33-17-19-7-6-12-25-15-19)28-34(31,32)20-10-8-18(3)9-11-20/h4-12,15-16H,1-2,13-14,17H2,3H3,(H,26,28)
InChIKeyQKLVVTOXCFSFKV-UHFFFAOYSA-N
XLogP3.37
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23075800) is 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is C=CCN(CC=C)C(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is QKLVVTOXCFSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-4-13-29(14-5-2)24(30)21-16-26-22(23(27-21)33-17-19-7-6-12-25-15-19)28-34(31,32)20-10-8-18(3)9-11-20/h4-12,15-16H,1-2,13-14,17H2,3H3,(H,26,28).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23075800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).