naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate

C18H16N2O2 — CID 13387377

IUPACnaphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate
SMILESCc1cccnc1N(C)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O2/c1-13-6-5-11-19-17(13)20(2)18(21)22-16-10-9-14-7-3-4-8-15(14)12-16/h3-12H,1-2H3
InChIKeyGGWGSVNPLVEKFJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.18
Rot. Bonds2

About naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate

naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate (PubChem CID 13387377) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate
PubChem CID13387377
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namenaphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate
SMILESCc1cccnc1N(C)C(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O2/c1-13-6-5-11-19-17(13)20(2)18(21)22-16-10-9-14-7-3-4-8-15(14)12-16/h3-12H,1-2H3
InChIKeyGGWGSVNPLVEKFJ-UHFFFAOYSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate?
The IUPAC name of naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate (CID 13387377) is naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate?
The canonical SMILES for naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate is Cc1cccnc1N(C)C(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate?
The InChIKey is GGWGSVNPLVEKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-6-5-11-19-17(13)20(2)18(21)22-16-10-9-14-7-3-4-8-15(14)12-16/h3-12H,1-2H3.
What are the key properties of naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate?
naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate has a molecular weight of 292.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-methyl-N-(3-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 13387377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).