1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol

C16H24N2O — CID 23070492

IUPAC1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
SMILESCCC(C)C1=CC=C2NC=CC=C2N1CC(C)(C)O
InChIInChI=1S/C16H24N2O/c1-5-12(2)14-9-8-13-15(7-6-10-17-13)18(14)11-16(3,4)19/h6-10,12,17,19H,5,11H2,1-4H3
InChIKeyWJJCFFVOYKNFBK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol

1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol (PubChem CID 23070492) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
PubChem CID23070492
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol
SMILESCCC(C)C1=CC=C2NC=CC=C2N1CC(C)(C)O
InChIInChI=1S/C16H24N2O/c1-5-12(2)14-9-8-13-15(7-6-10-17-13)18(14)11-16(3,4)19/h6-10,12,17,19H,5,11H2,1-4H3
InChIKeyWJJCFFVOYKNFBK-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol (CID 23070492) is 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol is CCC(C)C1=CC=C2NC=CC=C2N1CC(C)(C)O.
What is the InChIKey of 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
The InChIKey is WJJCFFVOYKNFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-12(2)14-9-8-13-15(7-6-10-17-13)18(14)11-16(3,4)19/h6-10,12,17,19H,5,11H2,1-4H3.
What are the key properties of 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol?
1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-5H-1,5-naphthyridin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 23070492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).