6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol

C22H21N3O2 — CID 177212780

IUPAC6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol
SMILESCc1cc2c(C#Cc3cc(C4CCOCC4)c(O)cn3)cnc(C)c2cn1
InChIInChI=1S/C22H21N3O2/c1-14-9-19-17(11-24-15(2)21(19)12-23-14)3-4-18-10-20(22(26)13-25-18)16-5-7-27-8-6-16/h9-13,16,26H,5-8H2,1-2H3
InChIKeySIWHQICREFKRMI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.64
Rot. Bonds1

About 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol

6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol (PubChem CID 177212780) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol
PubChem CID177212780
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol
SMILESCc1cc2c(C#Cc3cc(C4CCOCC4)c(O)cn3)cnc(C)c2cn1
InChIInChI=1S/C22H21N3O2/c1-14-9-19-17(11-24-15(2)21(19)12-23-14)3-4-18-10-20(22(26)13-25-18)16-5-7-27-8-6-16/h9-13,16,26H,5-8H2,1-2H3
InChIKeySIWHQICREFKRMI-UHFFFAOYSA-N
XLogP3.64
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol?
The IUPAC name of 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol (CID 177212780) is 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol.
What is the SMILES notation for 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol?
The canonical SMILES for 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol is Cc1cc2c(C#Cc3cc(C4CCOCC4)c(O)cn3)cnc(C)c2cn1.
What is the InChIKey of 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol?
The InChIKey is SIWHQICREFKRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-9-19-17(11-24-15(2)21(19)12-23-14)3-4-18-10-20(22(26)13-25-18)16-5-7-27-8-6-16/h9-13,16,26H,5-8H2,1-2H3.
What are the key properties of 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol?
6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol has a molecular weight of 359.43 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol is sourced from PubChem (CID 177212780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).