N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide

C23H25N5O3S — CID 155563866

IUPACN-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCNC/C=C/c2ccc(-c3cccnc3)cc2)cn1
InChIInChI=1S/C23H25N5O3S/c1-24-23(29)22-11-10-21(17-27-22)32(30,31)28-15-14-25-12-2-4-18-6-8-19(9-7-18)20-5-3-13-26-16-20/h2-11,13,16-17,25,28H,12,14-15H2,1H3,(H,24,29)/b4-2+
InChIKeyJIRNEZMFFCSOPQ-DUXPYHPUSA-N
MW451.55 g/mol
LogP2.08
Rot. Bonds10

About N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide

N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide (PubChem CID 155563866) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide
PubChem CID155563866
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCNC/C=C/c2ccc(-c3cccnc3)cc2)cn1
InChIInChI=1S/C23H25N5O3S/c1-24-23(29)22-11-10-21(17-27-22)32(30,31)28-15-14-25-12-2-4-18-6-8-19(9-7-18)20-5-3-13-26-16-20/h2-11,13,16-17,25,28H,12,14-15H2,1H3,(H,24,29)/b4-2+
InChIKeyJIRNEZMFFCSOPQ-DUXPYHPUSA-N
XLogP2.08
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide (CID 155563866) is N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide is CNC(=O)c1ccc(S(=O)(=O)NCCNC/C=C/c2ccc(-c3cccnc3)cc2)cn1.
What is the InChIKey of N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide?
The InChIKey is JIRNEZMFFCSOPQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-24-23(29)22-11-10-21(17-27-22)32(30,31)28-15-14-25-12-2-4-18-6-8-19(9-7-18)20-5-3-13-26-16-20/h2-11,13,16-17,25,28H,12,14-15H2,1H3,(H,24,29)/b4-2+.
What are the key properties of N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide?
N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.08, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethylsulfamoyl]pyridine-2-carboxamide is sourced from PubChem (CID 155563866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).