2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide

C21H23N3O2 — CID 70763275

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide
SMILESCCc1nc(C)ccc1OCC(=O)N(C)Cc1cccc2cnccc12
InChIInChI=1S/C21H23N3O2/c1-4-19-20(9-8-15(2)23-19)26-14-21(25)24(3)13-17-7-5-6-16-12-22-11-10-18(16)17/h5-12H,4,13-14H2,1-3H3
InChIKeyFQRVNSOYMIKTRS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.54
Rot. Bonds6

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide (PubChem CID 70763275) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide
PubChem CID70763275
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide
SMILESCCc1nc(C)ccc1OCC(=O)N(C)Cc1cccc2cnccc12
InChIInChI=1S/C21H23N3O2/c1-4-19-20(9-8-15(2)23-19)26-14-21(25)24(3)13-17-7-5-6-16-12-22-11-10-18(16)17/h5-12H,4,13-14H2,1-3H3
InChIKeyFQRVNSOYMIKTRS-UHFFFAOYSA-N
XLogP3.54
TPSA55.32 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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 70764529
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 77083425
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
CID 56909896
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
CID 70722014
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70747961
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-ethyl-N-methylacetamide
CID 62097636
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 91773741
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56879074
2-isoquinolin-5-ylacetamide
CID 68785768

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide (CID 70763275) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide is CCc1nc(C)ccc1OCC(=O)N(C)Cc1cccc2cnccc12.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide?
The InChIKey is FQRVNSOYMIKTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-19-20(9-8-15(2)23-19)26-14-21(25)24(3)13-17-7-5-6-16-12-22-11-10-18(16)17/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 70763275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).