3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile

C22H14Cl2N4O2 — CID 15230458

IUPAC3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile
SMILESN#CC(c1cccnc1)C(O)c1cc2cccnc2n(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C22H14Cl2N4O2/c23-15-8-16(24)10-17(9-15)28-21-13(3-2-6-27-21)7-18(22(28)30)20(29)19(11-25)14-4-1-5-26-12-14/h1-10,12,19-20,29H
InChIKeyXDSGBLSZWJWGFM-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.43
Rot. Bonds4

About 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile

3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile (PubChem CID 15230458) has the molecular formula C22H14Cl2N4O2 and a molecular weight of 437.29 g/mol. Its IUPAC name is 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile
PubChem CID15230458
Molecular FormulaC22H14Cl2N4O2
Molecular Weight437.29 g/mol
Exact Mass436.05
IUPAC Name3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile
SMILESN#CC(c1cccnc1)C(O)c1cc2cccnc2n(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C22H14Cl2N4O2/c23-15-8-16(24)10-17(9-15)28-21-13(3-2-6-27-21)7-18(22(28)30)20(29)19(11-25)14-4-1-5-26-12-14/h1-10,12,19-20,29H
InChIKeyXDSGBLSZWJWGFM-UHFFFAOYSA-N
XLogP4.43
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile?
The IUPAC name of 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile (CID 15230458) is 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile is N#CC(c1cccnc1)C(O)c1cc2cccnc2n(-c2cc(Cl)cc(Cl)c2)c1=O.
What is the InChIKey of 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile?
The InChIKey is XDSGBLSZWJWGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4O2/c23-15-8-16(24)10-17(9-15)28-21-13(3-2-6-27-21)7-18(22(28)30)20(29)19(11-25)14-4-1-5-26-12-14/h1-10,12,19-20,29H.
What are the key properties of 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile?
3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile has a molecular weight of 437.29 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 15230458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).