7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide

C15H22N4O — CID 63117511

IUPAC7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C15H22N4O/c1-3-19(4-2)9-8-17-15(20)13-10-11-6-5-7-12(16)14(11)18-13/h5-7,10,18H,3-4,8-9,16H2,1-2H3,(H,17,20)
InChIKeyOAOJNKWPAKXIBX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.82
Rot. Bonds6

About 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide

7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide (PubChem CID 63117511) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
PubChem CID63117511
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C15H22N4O/c1-3-19(4-2)9-8-17-15(20)13-10-11-6-5-7-12(16)14(11)18-13/h5-7,10,18H,3-4,8-9,16H2,1-2H3,(H,17,20)
InChIKeyOAOJNKWPAKXIBX-UHFFFAOYSA-N
XLogP1.82
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-N-[2-(diethylamino)ethyl]-1H-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-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
CID 63118046
7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
CID 106840111
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
CID 24797317
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
CID 63118057

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide (CID 63117511) is 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide is CCN(CC)CCNC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide?
The InChIKey is OAOJNKWPAKXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-19(4-2)9-8-17-15(20)13-10-11-6-5-7-12(16)14(11)18-13/h5-7,10,18H,3-4,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide?
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63117511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).