6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile

C20H18Cl2N4O2 — CID 150553078

IUPAC6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(C)c1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C20H18Cl2N4O2/c1-9(2)11-5-6-24-15(10(3)4)16(11)26-19-12(7-14(21)18(22)25-19)17(27)13(8-23)20(26)28/h5-7,9-10,27H,1-4H3
InChIKeyIIGXCGUDMWUASB-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.91
Rot. Bonds3

About 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile

6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 150553078) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID150553078
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(C)c1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C20H18Cl2N4O2/c1-9(2)11-5-6-24-15(10(3)4)16(11)26-19-12(7-14(21)18(22)25-19)17(27)13(8-23)20(26)28/h5-7,9-10,27H,1-4H3
InChIKeyIIGXCGUDMWUASB-UHFFFAOYSA-N
XLogP4.91
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 150553078) is 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile is CC(C)c1ccnc(C(C)C)c1-n1c(=O)c(C#N)c(O)c2cc(Cl)c(Cl)nc21.
What is the InChIKey of 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is IIGXCGUDMWUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-9(2)11-5-6-24-15(10(3)4)16(11)26-19-12(7-14(21)18(22)25-19)17(27)13(8-23)20(26)28/h5-7,9-10,27H,1-4H3.
What are the key properties of 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile?
6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 417.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 150553078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).