6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide

C16H21N3O2 — CID 114946750

IUPAC6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H21N3O2/c1-19(10-16(21)6-2-3-7-16)15(20)13-9-18-14-8-11(17)4-5-12(13)14/h4-5,8-9,18,21H,2-3,6-7,10,17H2,1H3
InChIKeyQOAGZRBHWGQYEX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds3

About 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide

6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 114946750) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID114946750
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H21N3O2/c1-19(10-16(21)6-2-3-7-16)15(20)13-9-18-14-8-11(17)4-5-12(13)14/h4-5,8-9,18,21H,2-3,6-7,10,17H2,1H3
InChIKeyQOAGZRBHWGQYEX-UHFFFAOYSA-N
XLogP2.13
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
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
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235
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
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 115760175
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
CID 61116492
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 114946750) is 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide is CN(CC1(O)CCCC1)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is QOAGZRBHWGQYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(10-16(21)6-2-3-7-16)15(20)13-9-18-14-8-11(17)4-5-12(13)14/h4-5,8-9,18,21H,2-3,6-7,10,17H2,1H3.
What are the key properties of 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide?
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 114946750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).