5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide

C18H20N4O4S — CID 109101769

IUPAC5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H20N4O4S/c1-2-8-21-17(23)14-10-15(12-20-11-14)18(24)22-9-7-13-3-5-16(6-4-13)27(19,25)26/h2-6,10-12H,1,7-9H2,(H,21,23)(H,22,24)(H2,19,25,26)
InChIKeyOWDILMQKBUGVBM-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.62
Rot. Bonds8

About 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide

5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 109101769) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID109101769
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H20N4O4S/c1-2-8-21-17(23)14-10-15(12-20-11-14)18(24)22-9-7-13-3-5-16(6-4-13)27(19,25)26/h2-6,10-12H,1,7-9H2,(H,21,23)(H,22,24)(H2,19,25,26)
InChIKeyOWDILMQKBUGVBM-UHFFFAOYSA-N
XLogP0.62
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101725
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109237741

Frequently Asked Questions

What is the IUPAC name of 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide (CID 109101769) is 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is OWDILMQKBUGVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-2-8-21-17(23)14-10-15(12-20-11-14)18(24)22-9-7-13-3-5-16(6-4-13)27(19,25)26/h2-6,10-12H,1,7-9H2,(H,21,23)(H,22,24)(H2,19,25,26).
What are the key properties of 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide?
5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 388.45 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).