5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide

C14H19N3O2 — CID 107316240

IUPAC5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)NCCCCCO)c2c1
InChIInChI=1S/C14H19N3O2/c15-10-4-5-13-11(8-10)12(9-17-13)14(19)16-6-2-1-3-7-18/h4-5,8-9,17-18H,1-3,6-7,15H2,(H,16,19)
InChIKeyYXSNQWWIHGJRHM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds6

About 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide

5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide (PubChem CID 107316240) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
PubChem CID107316240
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)NCCCCCO)c2c1
InChIInChI=1S/C14H19N3O2/c15-10-4-5-13-11(8-10)12(9-17-13)14(19)16-6-2-1-3-7-18/h4-5,8-9,17-18H,1-3,6-7,15H2,(H,16,19)
InChIKeyYXSNQWWIHGJRHM-UHFFFAOYSA-N
XLogP1.64
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
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

5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
CID 114264539
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
CID 63116817
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide (CID 107316240) is 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)NCCCCCO)c2c1.
What is the InChIKey of 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide?
The InChIKey is YXSNQWWIHGJRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-10-4-5-13-11(8-10)12(9-17-13)14(19)16-6-2-1-3-7-18/h4-5,8-9,17-18H,1-3,6-7,15H2,(H,16,19).
What are the key properties of 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide?
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 107316240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).