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

C16H22ClN3O2 — CID 119260434

IUPAC1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCC(=O)N1CCc2cc(C(=O)NCC3CCCN3)ccc21.Cl
InChIInChI=1S/C16H21N3O2.ClH/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);1H
InChIKeyBPCDIJWGUXLYNM-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.50
Rot. Bonds3

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

1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride (PubChem CID 119260434) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
PubChem CID119260434
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCC(=O)N1CCc2cc(C(=O)NCC3CCCN3)ccc21.Cl
InChIInChI=1S/C16H21N3O2.ClH/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);1H
InChIKeyBPCDIJWGUXLYNM-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.50
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
CID 119260435
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-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119511328
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512122
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride (CID 119260434) is 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride is CC(=O)N1CCc2cc(C(=O)NCC3CCCN3)ccc21.Cl.
What is the InChIKey of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride?
The InChIKey is BPCDIJWGUXLYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/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);1H.
What are the key properties of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride?
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.50, 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;hydrochloride is sourced from PubChem (CID 119260434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).