N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride

C11H13ClN4O — CID 21194751

IUPACN-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride
SMILESCl.Cn1ccc2ccc(C(=O)N=C(N)N)cc21
InChIInChI=1S/C11H12N4O.ClH/c1-15-5-4-7-2-3-8(6-9(7)15)10(16)14-11(12)13;/h2-6H,1H3,(H4,12,13,14,16);1H
InChIKeyWQUQMFQLVLTITB-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.01
Rot. Bonds1

About N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride

N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride (PubChem CID 21194751) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride
PubChem CID21194751
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC NameN-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride
SMILESCl.Cn1ccc2ccc(C(=O)N=C(N)N)cc21
InChIInChI=1S/C11H12N4O.ClH/c1-15-5-4-7-2-3-8(6-9(7)15)10(16)14-11(12)13;/h2-6H,1H3,(H4,12,13,14,16);1H
InChIKeyWQUQMFQLVLTITB-UHFFFAOYSA-N
XLogP1.01
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-1-methylindole-6-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride (CID 21194751) is N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride is Cl.Cn1ccc2ccc(C(=O)N=C(N)N)cc21.
What is the InChIKey of N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride?
The InChIKey is WQUQMFQLVLTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.ClH/c1-15-5-4-7-2-3-8(6-9(7)15)10(16)14-11(12)13;/h2-6H,1H3,(H4,12,13,14,16);1H.
What are the key properties of N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride?
N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride has a molecular weight of 252.71 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-methylindole-6-carboxamide;hydrochloride is sourced from PubChem (CID 21194751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).