N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide

C21H21N3O2 — CID 172661597

IUPACN-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide
SMILESCNC(=O)COc1ccc2ccc(-c3cnc4c(c3)CCN4C)cc2c1
InChIInChI=1S/C21H21N3O2/c1-22-20(25)13-26-19-6-5-14-3-4-15(9-17(14)11-19)18-10-16-7-8-24(2)21(16)23-12-18/h3-6,9-12H,7-8,13H2,1-2H3,(H,22,25)
InChIKeyGHBFZLMCUSNYHZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide

N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide (PubChem CID 172661597) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide
PubChem CID172661597
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide
SMILESCNC(=O)COc1ccc2ccc(-c3cnc4c(c3)CCN4C)cc2c1
InChIInChI=1S/C21H21N3O2/c1-22-20(25)13-26-19-6-5-14-3-4-15(9-17(14)11-19)18-10-16-7-8-24(2)21(16)23-12-18/h3-6,9-12H,7-8,13H2,1-2H3,(H,22,25)
InChIKeyGHBFZLMCUSNYHZ-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide (CID 172661597) is N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide is CNC(=O)COc1ccc2ccc(-c3cnc4c(c3)CCN4C)cc2c1.
What is the InChIKey of N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide?
The InChIKey is GHBFZLMCUSNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-22-20(25)13-26-19-6-5-14-3-4-15(9-17(14)11-19)18-10-16-7-8-24(2)21(16)23-12-18/h3-6,9-12H,7-8,13H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide?
N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide has a molecular weight of 347.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[7-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 172661597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).