4-methyl-2-propan-2-yl-1,5-naphthyridine

C12H14N2 — CID 166896380

IUPAC4-methyl-2-propan-2-yl-1,5-naphthyridine
SMILESCc1cc(C(C)C)nc2cccnc12
InChIInChI=1S/C12H14N2/c1-8(2)11-7-9(3)12-10(14-11)5-4-6-13-12/h4-8H,1-3H3
InChIKeyBKWMDCRYYGHRGA-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.06
Rot. Bonds1

About 4-methyl-2-propan-2-yl-1,5-naphthyridine

4-methyl-2-propan-2-yl-1,5-naphthyridine (PubChem CID 166896380) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1,5-naphthyridine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1,5-naphthyridine
PubChem CID166896380
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-methyl-2-propan-2-yl-1,5-naphthyridine
SMILESCc1cc(C(C)C)nc2cccnc12
InChIInChI=1S/C12H14N2/c1-8(2)11-7-9(3)12-10(14-11)5-4-6-13-12/h4-8H,1-3H3
InChIKeyBKWMDCRYYGHRGA-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1,5-naphthyridine?
The IUPAC name of 4-methyl-2-propan-2-yl-1,5-naphthyridine (CID 166896380) is 4-methyl-2-propan-2-yl-1,5-naphthyridine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1,5-naphthyridine?
The canonical SMILES for 4-methyl-2-propan-2-yl-1,5-naphthyridine is Cc1cc(C(C)C)nc2cccnc12.
What is the InChIKey of 4-methyl-2-propan-2-yl-1,5-naphthyridine?
The InChIKey is BKWMDCRYYGHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8(2)11-7-9(3)12-10(14-11)5-4-6-13-12/h4-8H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-1,5-naphthyridine?
4-methyl-2-propan-2-yl-1,5-naphthyridine has a molecular weight of 186.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1,5-naphthyridine is sourced from PubChem (CID 166896380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).