2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide

C21H19N3O3 — CID 58585957

IUPAC2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide
SMILESCc1cccc(C(=O)Cc2ccnc(-c3ccc(OCC(N)=O)cc3)c2)n1
InChIInChI=1S/C21H19N3O3/c1-14-3-2-4-18(24-14)20(25)12-15-9-10-23-19(11-15)16-5-7-17(8-6-16)27-13-21(22)26/h2-11H,12-13H2,1H3,(H2,22,26)
InChIKeyREPDKJWNKJLTKS-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.74
Rot. Bonds7

About 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide

2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide (PubChem CID 58585957) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide
PubChem CID58585957
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide
SMILESCc1cccc(C(=O)Cc2ccnc(-c3ccc(OCC(N)=O)cc3)c2)n1
InChIInChI=1S/C21H19N3O3/c1-14-3-2-4-18(24-14)20(25)12-15-9-10-23-19(11-15)16-5-7-17(8-6-16)27-13-21(22)26/h2-11H,12-13H2,1H3,(H2,22,26)
InChIKeyREPDKJWNKJLTKS-UHFFFAOYSA-N
XLogP2.74
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide (CID 58585957) is 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide is Cc1cccc(C(=O)Cc2ccnc(-c3ccc(OCC(N)=O)cc3)c2)n1.
What is the InChIKey of 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide?
The InChIKey is REPDKJWNKJLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-3-2-4-18(24-14)20(25)12-15-9-10-23-19(11-15)16-5-7-17(8-6-16)27-13-21(22)26/h2-11H,12-13H2,1H3,(H2,22,26).
What are the key properties of 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide?
2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide has a molecular weight of 361.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-2-pyridinyl]phenoxy]acetamide is sourced from PubChem (CID 58585957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).