N-(3-azidopropyl)-1H-indole-6-carboxamide

C12H13N5O — CID 63748447

IUPACN-(3-azidopropyl)-1H-indole-6-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H13N5O/c13-17-16-6-1-5-15-12(18)10-3-2-9-4-7-14-11(9)8-10/h2-4,7-8,14H,1,5-6H2,(H,15,18)
InChIKeyUZSCVVNOYGIDFL-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.60
Rot. Bonds5

About N-(3-azidopropyl)-1H-indole-6-carboxamide

N-(3-azidopropyl)-1H-indole-6-carboxamide (PubChem CID 63748447) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3-azidopropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-1H-indole-6-carboxamide
PubChem CID63748447
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-(3-azidopropyl)-1H-indole-6-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H13N5O/c13-17-16-6-1-5-15-12(18)10-3-2-9-4-7-14-11(9)8-10/h2-4,7-8,14H,1,5-6H2,(H,15,18)
InChIKeyUZSCVVNOYGIDFL-UHFFFAOYSA-N
XLogP2.60
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
N-(3-azidopropyl)-1H-pyrrole-2-carboxamide
CID 61344374
N-(4-azidobutyl)-3,4-dihydroxybenzamide
CID 106386706
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-(3-azidopropyl)-3,4-dimethoxybenzamide
CID 61344006
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(4-azidobutyl)-3,4-difluorobenzamide
CID 106386485
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-azidopropyl)-1H-indole-6-carboxamide (CID 63748447) is N-(3-azidopropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-1H-indole-6-carboxamide is [N-]=[N+]=NCCCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(3-azidopropyl)-1H-indole-6-carboxamide?
The InChIKey is UZSCVVNOYGIDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-17-16-6-1-5-15-12(18)10-3-2-9-4-7-14-11(9)8-10/h2-4,7-8,14H,1,5-6H2,(H,15,18).
What are the key properties of N-(3-azidopropyl)-1H-indole-6-carboxamide?
N-(3-azidopropyl)-1H-indole-6-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 63748447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).