3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide

C12H13N5O3S — CID 104741346

IUPAC3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H13N5O3S/c13-10-5-2-6-15-11(10)12(18)16-8-3-1-4-9(7-8)17-21(14,19)20/h1-7,17H,13H2,(H,16,18)(H2,14,19,20)
InChIKeyOFXOYYNEJKJVTB-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.53
Rot. Bonds4

About 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide

3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide (PubChem CID 104741346) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
PubChem CID104741346
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H13N5O3S/c13-10-5-2-6-15-11(10)12(18)16-8-3-1-4-9(7-8)17-21(14,19)20/h1-7,17H,13H2,(H,16,18)(H2,14,19,20)
InChIKeyOFXOYYNEJKJVTB-UHFFFAOYSA-N
XLogP0.53
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide (CID 104741346) is 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is OFXOYYNEJKJVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c13-10-5-2-6-15-11(10)12(18)16-8-3-1-4-9(7-8)17-21(14,19)20/h1-7,17H,13H2,(H,16,18)(H2,14,19,20).
What are the key properties of 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).