2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide

C19H18N2O3 — CID 172667059

IUPAC2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1cc(-c2cccnc2OC)c2ccccc2c1
InChIInChI=1S/C19H18N2O3/c1-20-18(22)12-24-14-10-13-6-3-4-7-15(13)17(11-14)16-8-5-9-21-19(16)23-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyUUTHMODWCWVVMM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide

2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide (PubChem CID 172667059) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
PubChem CID172667059
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1cc(-c2cccnc2OC)c2ccccc2c1
InChIInChI=1S/C19H18N2O3/c1-20-18(22)12-24-14-10-13-6-3-4-7-15(13)17(11-14)16-8-5-9-21-19(16)23-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyUUTHMODWCWVVMM-UHFFFAOYSA-N
XLogP3.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide (CID 172667059) is 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide is CNC(=O)COc1cc(-c2cccnc2OC)c2ccccc2c1.
What is the InChIKey of 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
The InChIKey is UUTHMODWCWVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20-18(22)12-24-14-10-13-6-3-4-7-15(13)17(11-14)16-8-5-9-21-19(16)23-2/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide?
2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide has a molecular weight of 322.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide is sourced from PubChem (CID 172667059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).