3-tert-butyl-4-methyl-1,6-naphthyridine

C13H16N2 — CID 155403755

IUPAC3-tert-butyl-4-methyl-1,6-naphthyridine
SMILESCc1c(C(C)(C)C)cnc2ccncc12
InChIInChI=1S/C13H16N2/c1-9-10-7-14-6-5-12(10)15-8-11(9)13(2,3)4/h5-8H,1-4H3
InChIKeyYNZHEKNAJOIVQA-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.24
Rot. Bonds

About 3-tert-butyl-4-methyl-1,6-naphthyridine

3-tert-butyl-4-methyl-1,6-naphthyridine (PubChem CID 155403755) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-tert-butyl-4-methyl-1,6-naphthyridine.

Molecular Properties

Compound Name3-tert-butyl-4-methyl-1,6-naphthyridine
PubChem CID155403755
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-tert-butyl-4-methyl-1,6-naphthyridine
SMILESCc1c(C(C)(C)C)cnc2ccncc12
InChIInChI=1S/C13H16N2/c1-9-10-7-14-6-5-12(10)15-8-11(9)13(2,3)4/h5-8H,1-4H3
InChIKeyYNZHEKNAJOIVQA-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4-methyl-1,6-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
5-Aminoquinoline
CID 11911
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
3-Methylquinoline
CID 11926
4,7-Phenanthroline
CID 67472
3-Methylisoquinoline
CID 14306

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methyl-1,6-naphthyridine?
The IUPAC name of 3-tert-butyl-4-methyl-1,6-naphthyridine (CID 155403755) is 3-tert-butyl-4-methyl-1,6-naphthyridine.
What is the SMILES notation for 3-tert-butyl-4-methyl-1,6-naphthyridine?
The canonical SMILES for 3-tert-butyl-4-methyl-1,6-naphthyridine is Cc1c(C(C)(C)C)cnc2ccncc12.
What is the InChIKey of 3-tert-butyl-4-methyl-1,6-naphthyridine?
The InChIKey is YNZHEKNAJOIVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-10-7-14-6-5-12(10)15-8-11(9)13(2,3)4/h5-8H,1-4H3.
What are the key properties of 3-tert-butyl-4-methyl-1,6-naphthyridine?
3-tert-butyl-4-methyl-1,6-naphthyridine has a molecular weight of 200.28 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methyl-1,6-naphthyridine is sourced from PubChem (CID 155403755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).