2-amino-6-(methylamino)-1H-indole-3-carboxamide

C10H12N4O — CID 144568339

IUPAC2-amino-6-(methylamino)-1H-indole-3-carboxamide
SMILESCNc1ccc2c(C(N)=O)c(N)[nH]c2c1
InChIInChI=1S/C10H12N4O/c1-13-5-2-3-6-7(4-5)14-9(11)8(6)10(12)15/h2-4,13-14H,11H2,1H3,(H2,12,15)
InChIKeyKSXMYRSGEWCIBN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-6-(methylamino)-1H-indole-3-carboxamide

2-amino-6-(methylamino)-1H-indole-3-carboxamide (PubChem CID 144568339) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-6-(methylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(methylamino)-1H-indole-3-carboxamide
PubChem CID144568339
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-6-(methylamino)-1H-indole-3-carboxamide
SMILESCNc1ccc2c(C(N)=O)c(N)[nH]c2c1
InChIInChI=1S/C10H12N4O/c1-13-5-2-3-6-7(4-5)14-9(11)8(6)10(12)15/h2-4,13-14H,11H2,1H3,(H2,12,15)
InChIKeyKSXMYRSGEWCIBN-UHFFFAOYSA-N
XLogP0.89
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methylamino)-1H-indole-3-carboxamide?
The IUPAC name of 2-amino-6-(methylamino)-1H-indole-3-carboxamide (CID 144568339) is 2-amino-6-(methylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-amino-6-(methylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 2-amino-6-(methylamino)-1H-indole-3-carboxamide is CNc1ccc2c(C(N)=O)c(N)[nH]c2c1.
What is the InChIKey of 2-amino-6-(methylamino)-1H-indole-3-carboxamide?
The InChIKey is KSXMYRSGEWCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-5-2-3-6-7(4-5)14-9(11)8(6)10(12)15/h2-4,13-14H,11H2,1H3,(H2,12,15).
What are the key properties of 2-amino-6-(methylamino)-1H-indole-3-carboxamide?
2-amino-6-(methylamino)-1H-indole-3-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 144568339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).