2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide

C18H24N4O4S — CID 109167185

IUPAC2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C18H24N4O4S/c1-26-12-2-9-20-17-13-15(8-11-21-17)18(23)22-10-7-14-3-5-16(6-4-14)27(19,24)25/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyZMUUCXWWZUPFKZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.15
Rot. Bonds10

About 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide

2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109167185) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109167185
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1
InChIInChI=1S/C18H24N4O4S/c1-26-12-2-9-20-17-13-15(8-11-21-17)18(23)22-10-7-14-3-5-16(6-4-14)27(19,24)25/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyZMUUCXWWZUPFKZ-UHFFFAOYSA-N
XLogP1.15
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.15
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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Related Compounds

N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
CID 109166763
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167158
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166642
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (CID 109167185) is 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is COCCCNc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZMUUCXWWZUPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-26-12-2-9-20-17-13-15(8-11-21-17)18(23)22-10-7-14-3-5-16(6-4-14)27(19,24)25/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25).
What are the key properties of 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109167185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).