2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide

C13H16ClN5O — CID 115349341

IUPAC2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
SMILES[N-]=[N+]=NCCCNC1(C(N)=O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H16ClN5O/c14-11-3-2-9-7-13(12(15)20,8-10(9)6-11)17-4-1-5-18-19-16/h2-3,6,17H,1,4-5,7-8H2,(H2,15,20)
InChIKeyBVWINSQPPTYPII-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.95
Rot. Bonds6

About 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide

2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide (PubChem CID 115349341) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
PubChem CID115349341
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
SMILES[N-]=[N+]=NCCCNC1(C(N)=O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H16ClN5O/c14-11-3-2-9-7-13(12(15)20,8-10(9)6-11)17-4-1-5-18-19-16/h2-3,6,17H,1,4-5,7-8H2,(H2,15,20)
InChIKeyBVWINSQPPTYPII-UHFFFAOYSA-N
XLogP1.95
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.95
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-(3-azidopropylamino)-5-chloro-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

2-(2-azidoethylamino)-1,3-dihydroindene-2-carboxamide
CID 66191049
5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
CID 115349249
5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
CID 113291821
1-(3-azidopropylamino)-3,5-dimethylcyclohexane-1-carboxamide
CID 66168060
5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
CID 115349312
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide
CID 106822803
1-(3-azidopropylamino)-3,4-dimethylcyclohexane-1-carboxamide
CID 66167419
2-(2-azidoethylamino)-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 66190009
1-(3-azidopropylamino)-4-methylcycloheptane-1-carboxamide
CID 66164955
4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide
CID 66191314
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115419342

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide (CID 115349341) is 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide is [N-]=[N+]=NCCCNC1(C(N)=O)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide?
The InChIKey is BVWINSQPPTYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-11-3-2-9-7-13(12(15)20,8-10(9)6-11)17-4-1-5-18-19-16/h2-3,6,17H,1,4-5,7-8H2,(H2,15,20).
What are the key properties of 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide?
2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 115349341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).