N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide

C21H18N4O — CID 10712336

IUPACN-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
SMILESNC(N)=NC(=O)c1cc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H18N4O/c22-21(23)24-20(26)19-12-17-7-3-4-8-18(17)25(19)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-12H,13H2,(H4,22,23,24,26)
InChIKeyGLBHPVQGRHFSIJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.26
Rot. Bonds3

About N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide

N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide (PubChem CID 10712336) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
PubChem CID10712336
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
SMILESNC(N)=NC(=O)c1cc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H18N4O/c22-21(23)24-20(26)19-12-17-7-3-4-8-18(17)25(19)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-12H,13H2,(H4,22,23,24,26)
InChIKeyGLBHPVQGRHFSIJ-UHFFFAOYSA-N
XLogP3.26
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.26
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'}

Analyze N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-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

Related Compounds

N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
CID 10829677
N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide
CID 10267157
1-benzyl-5-chloro-N-(diaminomethylidene)indole-2-carboxamide;hydrochloride
CID 22097790
N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 15290301
N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 135086954
1-[(8-methylnaphthalen-2-yl)methyl]indole-2-carboxylic acid
CID 23582813
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
1-[(3-cyanophenyl)methyl]indole-2-carboxamide
CID 11832625
1-[(4-aminophenyl)methyl]indole-2-carboxylic acid;2,2,2-trifluoroacetamide
CID 161133236
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
N-(4-aminocyclohexyl)-6-(N'-methylcarbamimidoyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 167341123

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide (CID 10712336) is N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide is NC(N)=NC(=O)c1cc2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
The InChIKey is GLBHPVQGRHFSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-21(23)24-20(26)19-12-17-7-3-4-8-18(17)25(19)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-12H,13H2,(H4,22,23,24,26).
What are the key properties of N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 10712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).