5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid

C11H16N4O5S — CID 81090654

IUPAC5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H16N4O5S/c12-21(19,20)5-1-4-13-11(18)15-7-8-2-3-9(10(16)17)14-6-8/h2-3,6H,1,4-5,7H2,(H,16,17)(H2,12,19,20)(H2,13,15,18)
InChIKeyYFMNGLPVIPLSIP-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.74
Rot. Bonds7

About 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid

5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81090654) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81090654
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H16N4O5S/c12-21(19,20)5-1-4-13-11(18)15-7-8-2-3-9(10(16)17)14-6-8/h2-3,6H,1,4-5,7H2,(H,16,17)(H2,12,19,20)(H2,13,15,18)
InChIKeyYFMNGLPVIPLSIP-UHFFFAOYSA-N
XLogP-0.74
TPSA151.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[(4-bromothiophen-2-yl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090020
5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 106404852

Frequently Asked Questions

What is the IUPAC name of 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid (CID 81090654) is 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid is NS(=O)(=O)CCCNC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is YFMNGLPVIPLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c12-21(19,20)5-1-4-13-11(18)15-7-8-2-3-9(10(16)17)14-6-8/h2-3,6H,1,4-5,7H2,(H,16,17)(H2,12,19,20)(H2,13,15,18).
What are the key properties of 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of -0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).