5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide

C12H19ClN4O3S — CID 114922642

IUPAC5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCS(N)(=O)=O)c(Cl)cn1
InChIInChI=1S/C12H19ClN4O3S/c1-2-4-15-11-7-9(10(13)8-17-11)12(18)16-5-3-6-21(14,19)20/h7-8H,2-6H2,1H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyNIJZIKNRORLTIQ-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.97
Rot. Bonds8

About 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide

5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide (PubChem CID 114922642) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
PubChem CID114922642
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCS(N)(=O)=O)c(Cl)cn1
InChIInChI=1S/C12H19ClN4O3S/c1-2-4-15-11-7-9(10(13)8-17-11)12(18)16-5-3-6-21(14,19)20/h7-8H,2-6H2,1H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyNIJZIKNRORLTIQ-UHFFFAOYSA-N
XLogP0.97
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922327
5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
3-chloro-6-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62180159

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide (CID 114922642) is 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCCS(N)(=O)=O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
The InChIKey is NIJZIKNRORLTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-2-4-15-11-7-9(10(13)8-17-11)12(18)16-5-3-6-21(14,19)20/h7-8H,2-6H2,1H3,(H,15,17)(H,16,18)(H2,14,19,20).
What are the key properties of 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide?
5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).