N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide

C13H16N4O2S — CID 166371212

IUPACN-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2ccc(NC(=O)CCSC)cc12
InChIInChI=1S/C13H16N4O2S/c1-14-13(19)12-9-7-8(3-4-10(9)16-17-12)15-11(18)5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyIFFPCTQRUNKKCT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide

N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide (PubChem CID 166371212) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide
PubChem CID166371212
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2ccc(NC(=O)CCSC)cc12
InChIInChI=1S/C13H16N4O2S/c1-14-13(19)12-9-7-8(3-4-10(9)16-17-12)15-11(18)5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)
InChIKeyIFFPCTQRUNKKCT-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide (CID 166371212) is N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2ccc(NC(=O)CCSC)cc12.
What is the InChIKey of N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide?
The InChIKey is IFFPCTQRUNKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-14-13(19)12-9-7-8(3-4-10(9)16-17-12)15-11(18)5-6-20-2/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,15,18)(H,16,17).
What are the key properties of N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide?
N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide is sourced from PubChem (CID 166371212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).