N-(dimethylaminomethylidene)azulene-2-carboxamide

C14H14N2O — CID 141302363

IUPACN-(dimethylaminomethylidene)azulene-2-carboxamide
SMILESCN(C)/C=N/C(=O)c1cc2cccccc-2c1
InChIInChI=1S/C14H14N2O/c1-16(2)10-15-14(17)13-8-11-6-4-3-5-7-12(11)9-13/h3-10H,1-2H3/b15-10+
InChIKeySJEINDIJIWMRSX-XNTDXEJSSA-N
MW226.28 g/mol
LogP2.52
Rot. Bonds2

About N-(dimethylaminomethylidene)azulene-2-carboxamide

N-(dimethylaminomethylidene)azulene-2-carboxamide (PubChem CID 141302363) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)azulene-2-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)azulene-2-carboxamide
PubChem CID141302363
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(dimethylaminomethylidene)azulene-2-carboxamide
SMILESCN(C)/C=N/C(=O)c1cc2cccccc-2c1
InChIInChI=1S/C14H14N2O/c1-16(2)10-15-14(17)13-8-11-6-4-3-5-7-12(11)9-13/h3-10H,1-2H3/b15-10+
InChIKeySJEINDIJIWMRSX-XNTDXEJSSA-N
XLogP2.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(dimethylaminomethylidene)azulene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)azulene-2-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)azulene-2-carboxamide (CID 141302363) is N-(dimethylaminomethylidene)azulene-2-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)azulene-2-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)azulene-2-carboxamide is CN(C)/C=N/C(=O)c1cc2cccccc-2c1.
What is the InChIKey of N-(dimethylaminomethylidene)azulene-2-carboxamide?
The InChIKey is SJEINDIJIWMRSX-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16(2)10-15-14(17)13-8-11-6-4-3-5-7-12(11)9-13/h3-10H,1-2H3/b15-10+.
What are the key properties of N-(dimethylaminomethylidene)azulene-2-carboxamide?
N-(dimethylaminomethylidene)azulene-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)azulene-2-carboxamide is sourced from PubChem (CID 141302363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).