2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone

C18H17NO — CID 71401250

IUPAC2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone
SMILESCC1=CCN(CC(=O)c2ccc3ccccc3c2)C=C1
InChIInChI=1S/C18H17NO/c1-14-8-10-19(11-9-14)13-18(20)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12H,11,13H2,1H3
InChIKeyJAOFFDWAAGFCJS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone

2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone (PubChem CID 71401250) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone
PubChem CID71401250
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone
SMILESCC1=CCN(CC(=O)c2ccc3ccccc3c2)C=C1
InChIInChI=1S/C18H17NO/c1-14-8-10-19(11-9-14)13-18(20)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12H,11,13H2,1H3
InChIKeyJAOFFDWAAGFCJS-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone (CID 71401250) is 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone is CC1=CCN(CC(=O)c2ccc3ccccc3c2)C=C1.
What is the InChIKey of 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone?
The InChIKey is JAOFFDWAAGFCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-8-10-19(11-9-14)13-18(20)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12H,11,13H2,1H3.
What are the key properties of 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone?
2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2H-pyridin-1-yl)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 71401250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).