5-(2,2-dimethylpropyl)-1,7-naphthyridine

C13H16N2 — CID 130455577

IUPAC5-(2,2-dimethylpropyl)-1,7-naphthyridine
SMILESCC(C)(C)Cc1cncc2ncccc12
InChIInChI=1S/C13H16N2/c1-13(2,3)7-10-8-14-9-12-11(10)5-4-6-15-12/h4-6,8-9H,7H2,1-3H3
InChIKeyWZYYXGRAJJJZJL-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.22
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1,7-naphthyridine

5-(2,2-dimethylpropyl)-1,7-naphthyridine (PubChem CID 130455577) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,7-naphthyridine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1,7-naphthyridine
PubChem CID130455577
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name5-(2,2-dimethylpropyl)-1,7-naphthyridine
SMILESCC(C)(C)Cc1cncc2ncccc12
InChIInChI=1S/C13H16N2/c1-13(2,3)7-10-8-14-9-12-11(10)5-4-6-15-12/h4-6,8-9H,7H2,1-3H3
InChIKeyWZYYXGRAJJJZJL-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,7-naphthyridine?
The IUPAC name of 5-(2,2-dimethylpropyl)-1,7-naphthyridine (CID 130455577) is 5-(2,2-dimethylpropyl)-1,7-naphthyridine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,7-naphthyridine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1,7-naphthyridine is CC(C)(C)Cc1cncc2ncccc12.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1,7-naphthyridine?
The InChIKey is WZYYXGRAJJJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,3)7-10-8-14-9-12-11(10)5-4-6-15-12/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1,7-naphthyridine?
5-(2,2-dimethylpropyl)-1,7-naphthyridine has a molecular weight of 200.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1,7-naphthyridine is sourced from PubChem (CID 130455577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).