1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone

C21H20N2O2 — CID 53465480

IUPAC1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone
SMILESCc1cnc(COc2ccc(C(=O)Cc3ccncc3)cc2)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-15-11-16(2)20(23-13-15)14-25-19-5-3-18(4-6-19)21(24)12-17-7-9-22-10-8-17/h3-11,13H,12,14H2,1-2H3
InChIKeySPJFALFTBTUQFP-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.10
Rot. Bonds6

About 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone

1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone (PubChem CID 53465480) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone
PubChem CID53465480
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone
SMILESCc1cnc(COc2ccc(C(=O)Cc3ccncc3)cc2)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-15-11-16(2)20(23-13-15)14-25-19-5-3-18(4-6-19)21(24)12-17-7-9-22-10-8-17/h3-11,13H,12,14H2,1-2H3
InChIKeySPJFALFTBTUQFP-UHFFFAOYSA-N
XLogP4.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone (CID 53465480) is 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone is Cc1cnc(COc2ccc(C(=O)Cc3ccncc3)cc2)c(C)c1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
The InChIKey is SPJFALFTBTUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-11-16(2)20(23-13-15)14-25-19-5-3-18(4-6-19)21(24)12-17-7-9-22-10-8-17/h3-11,13H,12,14H2,1-2H3.
What are the key properties of 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone?
1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone has a molecular weight of 332.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 53465480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).