5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide

C16H21N3O2 — CID 63727606

IUPAC5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-19(10-11-4-6-21-7-5-11)16(20)15-9-12-8-13(17)2-3-14(12)18-15/h2-3,8-9,11,18H,4-7,10,17H2,1H3
InChIKeyJICZCSMBICBFPT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.25
Rot. Bonds3

About 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide

5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 63727606) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID63727606
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-19(10-11-4-6-21-7-5-11)16(20)15-9-12-8-13(17)2-3-14(12)18-15/h2-3,8-9,11,18H,4-7,10,17H2,1H3
InChIKeyJICZCSMBICBFPT-UHFFFAOYSA-N
XLogP2.25
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 63877695
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate
CID 107363338
5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 63118382
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 63118342
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide (CID 63727606) is 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide is CN(CC1CCOCC1)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is JICZCSMBICBFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(10-11-4-6-21-7-5-11)16(20)15-9-12-8-13(17)2-3-14(12)18-15/h2-3,8-9,11,18H,4-7,10,17H2,1H3.
What are the key properties of 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63727606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).