5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

C16H21N3O2 — CID 63118382

IUPAC5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)N(CCO)C3CCCC3)cc2c1
InChIInChI=1S/C16H21N3O2/c17-12-5-6-14-11(9-12)10-15(18-14)16(21)19(7-8-20)13-3-1-2-4-13/h5-6,9-10,13,18,20H,1-4,7-8,17H2
InChIKeyXMTCUNUIQHVVIA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds4

About 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (PubChem CID 63118382) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
PubChem CID63118382
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)N(CCO)C3CCCC3)cc2c1
InChIInChI=1S/C16H21N3O2/c17-12-5-6-14-11(9-12)10-15(18-14)16(21)19(7-8-20)13-3-1-2-4-13/h5-6,9-10,13,18,20H,1-4,7-8,17H2
InChIKeyXMTCUNUIQHVVIA-UHFFFAOYSA-N
XLogP2.13
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate
CID 107363338
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 63877695
5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (CID 63118382) is 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)N(CCO)C3CCCC3)cc2c1.
What is the InChIKey of 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The InChIKey is XMTCUNUIQHVVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-12-5-6-14-11(9-12)10-15(18-14)16(21)19(7-8-20)13-3-1-2-4-13/h5-6,9-10,13,18,20H,1-4,7-8,17H2.
What are the key properties of 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).