N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H24N6O4S — CID 154852514

IUPACN-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C1CCc2n[nH]c(=O)n2C1
InChIInChI=1S/C17H24N6O4S/c1-21(13-4-6-14(7-5-13)28(18,26)27)9-10-22(2)16(24)12-3-8-15-19-20-17(25)23(15)11-12/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H2,18,26,27)
InChIKeyKGOCDRXKKHYGFU-UHFFFAOYSA-N
MW408.48 g/mol
LogP-0.62
Rot. Bonds6

About N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 154852514) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID154852514
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC NameN-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C1CCc2n[nH]c(=O)n2C1
InChIInChI=1S/C17H24N6O4S/c1-21(13-4-6-14(7-5-13)28(18,26)27)9-10-22(2)16(24)12-3-8-15-19-20-17(25)23(15)11-12/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H2,18,26,27)
InChIKeyKGOCDRXKKHYGFU-UHFFFAOYSA-N
XLogP-0.62
TPSA134.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 154852514) is N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C1CCc2n[nH]c(=O)n2C1.
What is the InChIKey of N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is KGOCDRXKKHYGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-21(13-4-6-14(7-5-13)28(18,26)27)9-10-22(2)16(24)12-3-8-15-19-20-17(25)23(15)11-12/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H2,18,26,27).
What are the key properties of N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 408.48 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(N-methyl-4-sulfamoylanilino)ethyl]-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 154852514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).