7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide

C13H17N3O2 — CID 106840111

IUPAC7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NCCCCO)[nH]c12
InChIInChI=1S/C13H17N3O2/c14-10-5-3-4-9-8-11(16-12(9)10)13(18)15-6-1-2-7-17/h3-5,8,16-17H,1-2,6-7,14H2,(H,15,18)
InChIKeyDNSSSOVBNPEQDF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds5

About 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide

7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide (PubChem CID 106840111) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
PubChem CID106840111
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NCCCCO)[nH]c12
InChIInChI=1S/C13H17N3O2/c14-10-5-3-4-9-8-11(16-12(9)10)13(18)15-6-1-2-7-17/h3-5,8,16-17H,1-2,6-7,14H2,(H,15,18)
InChIKeyDNSSSOVBNPEQDF-UHFFFAOYSA-N
XLogP1.25
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
CID 63118046
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
N-(6-hydroxyhexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 103919131
7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
CID 62058041
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455
7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide
CID 63117982

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide (CID 106840111) is 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)NCCCCO)[nH]c12.
What is the InChIKey of 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide?
The InChIKey is DNSSSOVBNPEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-5-3-4-9-8-11(16-12(9)10)13(18)15-6-1-2-7-17/h3-5,8,16-17H,1-2,6-7,14H2,(H,15,18).
What are the key properties of 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide?
7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 106840111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).