N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide

C18H19N3O2 — CID 112537187

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)CCc3ccncc3)c21
InChIInChI=1S/C18H19N3O2/c1-13(22)21-12-9-15-3-2-4-16(18(15)21)20-17(23)6-5-14-7-10-19-11-8-14/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,20,23)
InChIKeyIJLZVLQYIUTDLX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide (PubChem CID 112537187) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
PubChem CID112537187
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)CCc3ccncc3)c21
InChIInChI=1S/C18H19N3O2/c1-13(22)21-12-9-15-3-2-4-16(18(15)21)20-17(23)6-5-14-7-10-19-11-8-14/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,20,23)
InChIKeyIJLZVLQYIUTDLX-UHFFFAOYSA-N
XLogP2.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
CID 112537172
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
CID 112537173
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 112537184
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(3-methoxyphenyl)acetamide
CID 112537141
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 166234118
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
CID 3415037

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide (CID 112537187) is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide is CC(=O)N1CCc2cccc(NC(=O)CCc3ccncc3)c21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is IJLZVLQYIUTDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(22)21-12-9-15-3-2-4-16(18(15)21)20-17(23)6-5-14-7-10-19-11-8-14/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,20,23).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 112537187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).