N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide

C23H26N4O4S — CID 3360888

IUPACN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C23H26N4O4S/c1-4-27(5-2)20-14-13-17(25-23(28)19-11-8-9-15-24-19)16-22(20)32(29,30)26-18-10-6-7-12-21(18)31-3/h6-16,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyXZHOFVJPQCTQMG-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.99
Rot. Bonds9

About N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide

N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 3360888) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
PubChem CID3360888
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C23H26N4O4S/c1-4-27(5-2)20-14-13-17(25-23(28)19-11-8-9-15-24-19)16-22(20)32(29,30)26-18-10-6-7-12-21(18)31-3/h6-16,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyXZHOFVJPQCTQMG-UHFFFAOYSA-N
XLogP3.99
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
CID 3618549
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]pyridine-2-carboxamide
CID 3906509
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 141363469
6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
CID 3953144
Pyridine-2-carboxylic acid (4-{[1-(4-methoxy-benzenesulfonyl)-piperidine-3-carbonyl]-amino}-phenyl)-amide
CID 648074
N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}pyridine-4-carboxamide
CID 1078659
[2-(2-Methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2352062
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide
CID 3505884
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylpyrazine-2-carboxamide
CID 4041042
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide
CID 4179887

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide (CID 3360888) is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Nc1ccccc1OC.
What is the InChIKey of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is XZHOFVJPQCTQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-4-27(5-2)20-14-13-17(25-23(28)19-11-8-9-15-24-19)16-22(20)32(29,30)26-18-10-6-7-12-21(18)31-3/h6-16,26H,4-5H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide?
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 3360888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).