N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride

C12H17ClN4O2 — CID 146027454

IUPACN-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)N=C(N)N)N2C.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-16-9-4-3-8(18-2)5-7(9)6-10(16)11(17)15-12(13)14;/h3-5,10H,6H2,1-2H3,(H4,13,14,15,17);1H
InChIKeyCBFCKUIWYMLQKZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.28
Rot. Bonds2

About N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride

N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride (PubChem CID 146027454) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
PubChem CID146027454
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)N=C(N)N)N2C.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-16-9-4-3-8(18-2)5-7(9)6-10(16)11(17)15-12(13)14;/h3-5,10H,6H2,1-2H3,(H4,13,14,15,17);1H
InChIKeyCBFCKUIWYMLQKZ-UHFFFAOYSA-N
XLogP0.28
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride (CID 146027454) is N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride is COc1ccc2c(c1)CC(C(=O)N=C(N)N)N2C.Cl.
What is the InChIKey of N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
The InChIKey is CBFCKUIWYMLQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c1-16-9-4-3-8(18-2)5-7(9)6-10(16)11(17)15-12(13)14;/h3-5,10H,6H2,1-2H3,(H4,13,14,15,17);1H.
What are the key properties of N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride?
N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-methoxy-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride is sourced from PubChem (CID 146027454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).