N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide

C12H14N4O — CID 6918359

IUPACN-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)N=C(N)N)n2C
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9-8(7)6-10(16(9)2)11(17)15-12(13)14/h3-6H,1-2H3,(H4,13,14,15,17)
InChIKeyGQDPOVZZWPHAQR-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.90
Rot. Bonds1

About N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide

N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide (PubChem CID 6918359) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide
PubChem CID6918359
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)N=C(N)N)n2C
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9-8(7)6-10(16(9)2)11(17)15-12(13)14/h3-6H,1-2H3,(H4,13,14,15,17)
InChIKeyGQDPOVZZWPHAQR-UHFFFAOYSA-N
XLogP0.90
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.90
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)-1,4-dimethylindole-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide (CID 6918359) is N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide is Cc1cccc2c1cc(C(=O)N=C(N)N)n2C.
What is the InChIKey of N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide?
The InChIKey is GQDPOVZZWPHAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-3-5-9-8(7)6-10(16(9)2)11(17)15-12(13)14/h3-6H,1-2H3,(H4,13,14,15,17).
What are the key properties of N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide?
N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1,4-dimethylindole-2-carboxamide is sourced from PubChem (CID 6918359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).