7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide

C15H19N3O2 — CID 63117982

IUPAC7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NC3(CO)CCCC3)[nH]c12
InChIInChI=1S/C15H19N3O2/c16-11-5-3-4-10-8-12(17-13(10)11)14(20)18-15(9-19)6-1-2-7-15/h3-5,8,17,19H,1-2,6-7,9,16H2,(H,18,20)
InChIKeyPLWDTBOCGBRRNA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds3

About 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide

7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide (PubChem CID 63117982) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide
PubChem CID63117982
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)NC3(CO)CCCC3)[nH]c12
InChIInChI=1S/C15H19N3O2/c16-11-5-3-4-10-8-12(17-13(10)11)14(20)18-15(9-19)6-1-2-7-15/h3-5,8,17,19H,1-2,6-7,9,16H2,(H,18,20)
InChIKeyPLWDTBOCGBRRNA-UHFFFAOYSA-N
XLogP1.78
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide (CID 63117982) is 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)NC3(CO)CCCC3)[nH]c12.
What is the InChIKey of 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide?
The InChIKey is PLWDTBOCGBRRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-11-5-3-4-10-8-12(17-13(10)11)14(20)18-15(9-19)6-1-2-7-15/h3-5,8,17,19H,1-2,6-7,9,16H2,(H,18,20).
What are the key properties of 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide?
7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63117982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).