2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide

C12H15N5O — CID 66191049

IUPAC2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide
SMILES[N-]=[N+]=NCCNC1(C(N)=O)Cc2ccccc2C1
InChIInChI=1S/C12H15N5O/c13-11(18)12(15-5-6-16-17-14)7-9-3-1-2-4-10(9)8-12/h1-4,15H,5-8H2,(H2,13,18)
InChIKeyGRAZTIIJYOIDCN-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.91
Rot. Bonds5

About 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide

2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide (PubChem CID 66191049) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide
PubChem CID66191049
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide
SMILES[N-]=[N+]=NCCNC1(C(N)=O)Cc2ccccc2C1
InChIInChI=1S/C12H15N5O/c13-11(18)12(15-5-6-16-17-14)7-9-3-1-2-4-10(9)8-12/h1-4,15H,5-8H2,(H2,13,18)
InChIKeyGRAZTIIJYOIDCN-UHFFFAOYSA-N
XLogP0.91
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(2-azidoethylamino)-1,3-dihydroindene-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

Indantadol
CID 10192617
Indantadol hydrochloride
CID 10198454
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-1,3-dihydroindene-2-carboxamide
CID 11456998
N-(1-carbamoyl-2,3-dihydro-1H-1-indenyl)methanamide1/4H2O
CID 13953787
N-(3-amino-3-oxopropyl)-2-(1-piperidinyl)-2-indanecarboxamide
CID 25365099
N-[(3S)-2-oxo-3-azepanyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 26314875
N-[2-(acetylamino)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 26327603
N-cyclopentyl-2-(4-ethyl-1-piperazinyl)-2-indanecarboxamide
CID 28250827
N-(2-amino-2-oxoethyl)-2-[benzyl(methyl)amino]-2-indanecarboxamide
CID 45211028
2-(1-piperidinyl)-N-3-pyrrolidinyl-2-indanecarboxamide
CID 56881954
2-(1-piperidinyl)-N-4-piperidinyl-2-indanecarboxamide
CID 56898521
N-methyl-2-[methyl(2-phenylethyl)amino]-2-indanecarboxamide
CID 56900301

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide (CID 66191049) is 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide is [N-]=[N+]=NCCNC1(C(N)=O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide?
The InChIKey is GRAZTIIJYOIDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-11(18)12(15-5-6-16-17-14)7-9-3-1-2-4-10(9)8-12/h1-4,15H,5-8H2,(H2,13,18).
What are the key properties of 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide?
2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 66191049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).