5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide

C15H19N3O2 — CID 63116756

IUPAC5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)NCC3CCCOC3)c2c1
InChIInChI=1S/C15H19N3O2/c16-11-3-4-14-12(6-11)13(8-17-14)15(19)18-7-10-2-1-5-20-9-10/h3-4,6,8,10,17H,1-2,5,7,9,16H2,(H,18,19)
InChIKeyBZWNQOJZBSOESR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds3

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

5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 63116756) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
PubChem CID63116756
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)NCC3CCCOC3)c2c1
InChIInChI=1S/C15H19N3O2/c16-11-3-4-14-12(6-11)13(8-17-14)15(19)18-7-10-2-1-5-20-9-10/h3-4,6,8,10,17H,1-2,5,7,9,16H2,(H,18,19)
InChIKeyBZWNQOJZBSOESR-UHFFFAOYSA-N
XLogP1.91
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.91
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

4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide (CID 63116756) is 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)NCC3CCCOC3)c2c1.
What is the InChIKey of 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is BZWNQOJZBSOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-11-3-4-14-12(6-11)13(8-17-14)15(19)18-7-10-2-1-5-20-9-10/h3-4,6,8,10,17H,1-2,5,7,9,16H2,(H,18,19).
What are the key properties of 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide?
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).