7-amino-N-propyl-1H-indole-2-carboxamide

C12H15N3O — CID 62056831

IUPAC7-amino-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C12H15N3O/c1-2-6-14-12(16)10-7-8-4-3-5-9(13)11(8)15-10/h3-5,7,15H,2,6,13H2,1H3,(H,14,16)
InChIKeyXMMRPHGTQMPSDK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds3

About 7-amino-N-propyl-1H-indole-2-carboxamide

7-amino-N-propyl-1H-indole-2-carboxamide (PubChem CID 62056831) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-amino-N-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-propyl-1H-indole-2-carboxamide
PubChem CID62056831
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-amino-N-propyl-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C12H15N3O/c1-2-6-14-12(16)10-7-8-4-3-5-9(13)11(8)15-10/h3-5,7,15H,2,6,13H2,1H3,(H,14,16)
InChIKeyXMMRPHGTQMPSDK-UHFFFAOYSA-N
XLogP1.89
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
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-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
CID 62058041
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
CID 63117948
7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-propyl-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-propyl-1H-indole-2-carboxamide (CID 62056831) is 7-amino-N-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-propyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-propyl-1H-indole-2-carboxamide is CCCNC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-propyl-1H-indole-2-carboxamide?
The InChIKey is XMMRPHGTQMPSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-6-14-12(16)10-7-8-4-3-5-9(13)11(8)15-10/h3-5,7,15H,2,6,13H2,1H3,(H,14,16).
What are the key properties of 7-amino-N-propyl-1H-indole-2-carboxamide?
7-amino-N-propyl-1H-indole-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 62056831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).