N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine

C20H18N4O — CID 133318527

IUPACN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2N(C)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H18N4O/c1-14-22-20(25-23-14)18-11-6-12-21-19(18)24(2)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,13H2,1-2H3
InChIKeyKGSWGMJRGFIBMF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.23
Rot. Bonds4

About N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine

N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine (PubChem CID 133318527) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine
PubChem CID133318527
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2N(C)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H18N4O/c1-14-22-20(25-23-14)18-11-6-12-21-19(18)24(2)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,13H2,1-2H3
InChIKeyKGSWGMJRGFIBMF-UHFFFAOYSA-N
XLogP4.23
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine (CID 133318527) is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine is Cc1noc(-c2cccnc2N(C)Cc2cccc3ccccc23)n1.
What is the InChIKey of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The InChIKey is KGSWGMJRGFIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-22-20(25-23-14)18-11-6-12-21-19(18)24(2)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(naphthalen-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 133318527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).