2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide

C21H21N3O3 — CID 42691302

IUPAC2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1ccccn1)c1ccc(Oc2ccc(C)cc2)nc1
InChIInChI=1S/C21H21N3O3/c1-16-6-9-19(10-7-16)27-20-11-8-18(13-23-20)24(21(25)15-26-2)14-17-5-3-4-12-22-17/h3-13H,14-15H2,1-2H3
InChIKeyJXBWYUGCOREIDF-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.76
Rot. Bonds7

About 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide

2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 42691302) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID42691302
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1ccccn1)c1ccc(Oc2ccc(C)cc2)nc1
InChIInChI=1S/C21H21N3O3/c1-16-6-9-19(10-7-16)27-20-11-8-18(13-23-20)24(21(25)15-26-2)14-17-5-3-4-12-22-17/h3-13H,14-15H2,1-2H3
InChIKeyJXBWYUGCOREIDF-UHFFFAOYSA-N
XLogP3.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide (CID 42691302) is 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide is COCC(=O)N(Cc1ccccn1)c1ccc(Oc2ccc(C)cc2)nc1.
What is the InChIKey of 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JXBWYUGCOREIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-16-6-9-19(10-7-16)27-20-11-8-18(13-23-20)24(21(25)15-26-2)14-17-5-3-4-12-22-17/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide?
2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 42691302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).