naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

C18H16N2O3 — CID 13217580

IUPACnaphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H16N2O3/c1-20(16-8-5-9-17(19-16)22-2)18(21)23-15-11-10-13-6-3-4-7-14(13)12-15/h3-12H,1-2H3
InChIKeyQMTSVCGZJDUPJQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.88
Rot. Bonds3

About naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 13217580) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID13217580
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namenaphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H16N2O3/c1-20(16-8-5-9-17(19-16)22-2)18(21)23-15-11-10-13-6-3-4-7-14(13)12-15/h3-12H,1-2H3
InChIKeyQMTSVCGZJDUPJQ-UHFFFAOYSA-N
XLogP3.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (CID 13217580) is naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is COc1cccc(N(C)C(=O)Oc2ccc3ccccc3c2)n1.
What is the InChIKey of naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is QMTSVCGZJDUPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20(16-8-5-9-17(19-16)22-2)18(21)23-15-11-10-13-6-3-4-7-14(13)12-15/h3-12H,1-2H3.
What are the key properties of naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 308.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 13217580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).