6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide

C13H17N3O2 — CID 62334013

IUPAC6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2/c1-8(17)7-16(2)13(18)11-6-15-12-5-9(14)3-4-10(11)12/h3-6,8,15,17H,7,14H2,1-2H3
InChIKeyAJGJEGOFGAGAQP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.20
Rot. Bonds3

About 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide

6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide (PubChem CID 62334013) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
PubChem CID62334013
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C13H17N3O2/c1-8(17)7-16(2)13(18)11-6-15-12-5-9(14)3-4-10(11)12/h3-6,8,15,17H,7,14H2,1-2H3
InChIKeyAJGJEGOFGAGAQP-UHFFFAOYSA-N
XLogP1.20
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.20
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-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 114946750
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
CID 61116492
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide (CID 62334013) is 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide is CC(O)CN(C)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide?
The InChIKey is AJGJEGOFGAGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(17)7-16(2)13(18)11-6-15-12-5-9(14)3-4-10(11)12/h3-6,8,15,17H,7,14H2,1-2H3.
What are the key properties of 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide?
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 62334013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).