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

C15H19N3O2 — CID 80565291

IUPACN-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C1NCCCCC1NC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H19N3O2/c19-14(18-13-7-3-4-8-16-15(13)20)11-9-17-12-6-2-1-5-10(11)12/h1-2,5-6,11,13,17H,3-4,7-9H2,(H,16,20)(H,18,19)
InChIKeyODDWYPDPDHWPRP-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.98
Rot. Bonds2

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

N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565291) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565291
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C1NCCCCC1NC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H19N3O2/c19-14(18-13-7-3-4-8-16-15(13)20)11-9-17-12-6-2-1-5-10(11)12/h1-2,5-6,11,13,17H,3-4,7-9H2,(H,16,20)(H,18,19)
InChIKeyODDWYPDPDHWPRP-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887963
N-(3-hydroxycyclobutyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567154
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-cyclohex-3-en-1-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567255
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-3-carboxamide
CID 126827942
N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 52991115
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80565291) is N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide is O=C1NCCCCC1NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is ODDWYPDPDHWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(18-13-7-3-4-8-16-15(13)20)11-9-17-12-6-2-1-5-10(11)12/h1-2,5-6,11,13,17H,3-4,7-9H2,(H,16,20)(H,18,19).
What are the key properties of N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.98, 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-3-carboxamide is sourced from PubChem (CID 80565291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).