6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide

C13H15N3O2 — CID 80717046

IUPAC6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NC3CCOC3)c[nH]c2c1
InChIInChI=1S/C13H15N3O2/c14-8-1-2-10-11(6-15-12(10)5-8)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7,14H2,(H,16,17)
InChIKeyGAGFHTOOLDIDFZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.27
Rot. Bonds2

About 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide

6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide (PubChem CID 80717046) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
PubChem CID80717046
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NC3CCOC3)c[nH]c2c1
InChIInChI=1S/C13H15N3O2/c14-8-1-2-10-11(6-15-12(10)5-8)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7,14H2,(H,16,17)
InChIKeyGAGFHTOOLDIDFZ-UHFFFAOYSA-N
XLogP1.27
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
CID 83012813
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide
CID 63993854
6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61126926
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide (CID 80717046) is 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NC3CCOC3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
The InChIKey is GAGFHTOOLDIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-1-2-10-11(6-15-12(10)5-8)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7,14H2,(H,16,17).
What are the key properties of 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide?
6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 80717046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).