N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide

C11H12N4O2 — CID 15290313

IUPACN-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N=C(N)N)cc2cc(O)ccc21
InChIInChI=1S/C11H12N4O2/c1-15-8-3-2-7(16)4-6(8)5-9(15)10(17)14-11(12)13/h2-5,16H,1H3,(H4,12,13,14,17)
InChIKeyWHIQSIQRTRLSRN-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.30
Rot. Bonds1

About N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide

N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide (PubChem CID 15290313) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
PubChem CID15290313
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N=C(N)N)cc2cc(O)ccc21
InChIInChI=1S/C11H12N4O2/c1-15-8-3-2-7(16)4-6(8)5-9(15)10(17)14-11(12)13/h2-5,16H,1H3,(H4,12,13,14,17)
InChIKeyWHIQSIQRTRLSRN-UHFFFAOYSA-N
XLogP0.30
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide (CID 15290313) is N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide is Cn1c(C(=O)N=C(N)N)cc2cc(O)ccc21.
What is the InChIKey of N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide?
The InChIKey is WHIQSIQRTRLSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-8-3-2-7(16)4-6(8)5-9(15)10(17)14-11(12)13/h2-5,16H,1H3,(H4,12,13,14,17).
What are the key properties of N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide?
N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 15290313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).