1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

C16H21N3O2 — CID 119260435

IUPAC1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCC3CCCN3)ccc21
InChIInChI=1S/C16H21N3O2/c1-11(20)19-8-6-12-9-13(4-5-15(12)19)16(21)18-10-14-3-2-7-17-14/h4-5,9,14,17H,2-3,6-8,10H2,1H3,(H,18,21)
InChIKeyVKAYQMLDSKVBCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.08
Rot. Bonds3

About 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 119260435) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID119260435
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCC3CCCN3)ccc21
InChIInChI=1S/C16H21N3O2/c1-11(20)19-8-6-12-9-13(4-5-15(12)19)16(21)18-10-14-3-2-7-17-14/h4-5,9,14,17H,2-3,6-8,10H2,1H3,(H,18,21)
InChIKeyVKAYQMLDSKVBCA-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260434
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974086
1-acetyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006613
1-acetyl-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006614
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119511328
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (CID 119260435) is 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCC3CCCN3)ccc21.
What is the InChIKey of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is VKAYQMLDSKVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)19-8-6-12-9-13(4-5-15(12)19)16(21)18-10-14-3-2-7-17-14/h4-5,9,14,17H,2-3,6-8,10H2,1H3,(H,18,21).
What are the key properties of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 119260435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).