2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine

C16H17N3O — CID 70529937

IUPAC2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine
SMILESCC1=CC(C)(C)Nc2ccc(Oc3ccccn3)nc21
InChIInChI=1S/C16H17N3O/c1-11-10-16(2,3)19-12-7-8-14(18-15(11)12)20-13-6-4-5-9-17-13/h4-10,19H,1-3H3
InChIKeyVFIBEQKVGNEOMA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.88
Rot. Bonds2

About 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine

2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine (PubChem CID 70529937) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine.

Molecular Properties

Compound Name2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine
PubChem CID70529937
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine
SMILESCC1=CC(C)(C)Nc2ccc(Oc3ccccn3)nc21
InChIInChI=1S/C16H17N3O/c1-11-10-16(2,3)19-12-7-8-14(18-15(11)12)20-13-6-4-5-9-17-13/h4-10,19H,1-3H3
InChIKeyVFIBEQKVGNEOMA-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine?
The IUPAC name of 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine (CID 70529937) is 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine.
What is the SMILES notation for 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine?
The canonical SMILES for 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine is CC1=CC(C)(C)Nc2ccc(Oc3ccccn3)nc21.
What is the InChIKey of 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine?
The InChIKey is VFIBEQKVGNEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-10-16(2,3)19-12-7-8-14(18-15(11)12)20-13-6-4-5-9-17-13/h4-10,19H,1-3H3.
What are the key properties of 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine?
2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine has a molecular weight of 267.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-pyridin-2-yloxy-1H-1,5-naphthyridine is sourced from PubChem (CID 70529937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).