N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide

C15H19N3O2 — CID 76887963

IUPACN-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C1NCCCCC1NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H19N3O2/c19-14-12(7-3-4-8-16-14)18-15(20)13-9-10-5-1-2-6-11(10)17-13/h1-2,5-6,12-13,17H,3-4,7-9H2,(H,16,19)(H,18,20)
InChIKeyKQFKKYHRGHMTSC-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.81
Rot. Bonds2

About N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide

N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76887963) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76887963
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C1NCCCCC1NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H19N3O2/c19-14-12(7-3-4-8-16-14)18-15(20)13-9-10-5-1-2-6-11(10)17-13/h1-2,5-6,12-13,17H,3-4,7-9H2,(H,16,19)(H,18,20)
InChIKeyKQFKKYHRGHMTSC-UHFFFAOYSA-N
XLogP0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76887963) is N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide is O=C1NCCCCC1NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is KQFKKYHRGHMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-12(7-3-4-8-16-14)18-15(20)13-9-10-5-1-2-6-11(10)17-13/h1-2,5-6,12-13,17H,3-4,7-9H2,(H,16,19)(H,18,20).
What are the key properties of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76887963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).