5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid

C10H15N3O4S — CID 114814582

IUPAC5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H15N3O4S/c1-7(2)4-12-18(16,17)13-9-3-8(10(14)15)5-11-6-9/h3,5-7,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyUUHFCNSUVRSINP-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.68
Rot. Bonds6

About 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid

5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid (PubChem CID 114814582) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
PubChem CID114814582
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H15N3O4S/c1-7(2)4-12-18(16,17)13-9-3-8(10(14)15)5-11-6-9/h3,5-7,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyUUHFCNSUVRSINP-UHFFFAOYSA-N
XLogP0.68
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 82838842
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
3-amino-4-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814174
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
CID 82535240
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid (CID 114814582) is 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid is CC(C)CNS(=O)(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid?
The InChIKey is UUHFCNSUVRSINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(2)4-12-18(16,17)13-9-3-8(10(14)15)5-11-6-9/h3,5-7,12-13H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid?
5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114814582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).