2,7-ditert-butyl-1,5-naphthyridine

C16H22N2 — CID 171466000

IUPAC2,7-ditert-butyl-1,5-naphthyridine
SMILESCC(C)(C)c1cnc2ccc(C(C)(C)C)nc2c1
InChIInChI=1S/C16H22N2/c1-15(2,3)11-9-13-12(17-10-11)7-8-14(18-13)16(4,5)6/h7-10H,1-6H3
InChIKeyKBZXOAGAUCWQQX-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.22
Rot. Bonds

About 2,7-ditert-butyl-1,5-naphthyridine

2,7-ditert-butyl-1,5-naphthyridine (PubChem CID 171466000) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,7-ditert-butyl-1,5-naphthyridine.

Molecular Properties

Compound Name2,7-ditert-butyl-1,5-naphthyridine
PubChem CID171466000
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,7-ditert-butyl-1,5-naphthyridine
SMILESCC(C)(C)c1cnc2ccc(C(C)(C)C)nc2c1
InChIInChI=1S/C16H22N2/c1-15(2,3)11-9-13-12(17-10-11)7-8-14(18-13)16(4,5)6/h7-10H,1-6H3
InChIKeyKBZXOAGAUCWQQX-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-ditert-butylquinoxaline
CID 134411063
2-tert-butyl-7-fluoro-1,5-naphthyridine
CID 171406590
7-tert-butyl-1,5-naphthyridin-2-amine
CID 164792594
6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
CID 134414962
2,7-ditert-butylphenazine
CID 59610780
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
2,6-ditert-butyl-3-methylquinoxaline
CID 134411062
2,5-ditert-butylpyridine;propane
CID 158805083
2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline
CID 134415139
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
2-tert-butylquinoline;methane
CID 164995315
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-1,5-naphthyridine?
The IUPAC name of 2,7-ditert-butyl-1,5-naphthyridine (CID 171466000) is 2,7-ditert-butyl-1,5-naphthyridine.
What is the SMILES notation for 2,7-ditert-butyl-1,5-naphthyridine?
The canonical SMILES for 2,7-ditert-butyl-1,5-naphthyridine is CC(C)(C)c1cnc2ccc(C(C)(C)C)nc2c1.
What is the InChIKey of 2,7-ditert-butyl-1,5-naphthyridine?
The InChIKey is KBZXOAGAUCWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-15(2,3)11-9-13-12(17-10-11)7-8-14(18-13)16(4,5)6/h7-10H,1-6H3.
What are the key properties of 2,7-ditert-butyl-1,5-naphthyridine?
2,7-ditert-butyl-1,5-naphthyridine has a molecular weight of 242.37 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-1,5-naphthyridine is sourced from PubChem (CID 171466000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).