2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

C21H23N3O2 — CID 91770989

IUPAC2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccccc21)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C21H23N3O2/c25-21(16-23-12-9-18-4-1-2-6-20(18)23)24(15-19-5-3-13-26-19)14-17-7-10-22-11-8-17/h1-2,4,6-12,19H,3,5,13-16H2
InChIKeyLFGUERNWIICOFN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.24
Rot. Bonds6

About 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 91770989) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID91770989
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc2ccccc21)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C21H23N3O2/c25-21(16-23-12-9-18-4-1-2-6-20(18)23)24(15-19-5-3-13-26-19)14-17-7-10-22-11-8-17/h1-2,4,6-12,19H,3,5,13-16H2
InChIKeyLFGUERNWIICOFN-UHFFFAOYSA-N
XLogP3.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 72851148
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 125178218
oxan-2-ylmethyl 2-indol-1-ylacetate
CID 87044522
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 99941251
N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77090970
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 11418149
1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 91770989) is 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cn1ccc2ccccc21)N(Cc1ccncc1)CC1CCCO1.
What is the InChIKey of 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is LFGUERNWIICOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(16-23-12-9-18-4-1-2-6-20(18)23)24(15-19-5-3-13-26-19)14-17-7-10-22-11-8-17/h1-2,4,6-12,19H,3,5,13-16H2.
What are the key properties of 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 91770989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).