6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide

C18H14Cl2FN5O3 — CID 44554091

IUPAC6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide
SMILESCC(Oc1cc(C(=O)Nc2ccc(=O)[nH]c2)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN5O3/c1-8(15-10(19)3-4-11(21)16(15)20)29-13-6-12(25-26-17(13)22)18(28)24-9-2-5-14(27)23-7-9/h2-8H,1H3,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyAXTAVEOESDPIIH-UHFFFAOYSA-N
MW438.25 g/mol
LogP3.59
Rot. Bonds5

About 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide

6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide (PubChem CID 44554091) has the molecular formula C18H14Cl2FN5O3 and a molecular weight of 438.25 g/mol. Its IUPAC name is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide
PubChem CID44554091
Molecular FormulaC18H14Cl2FN5O3
Molecular Weight438.25 g/mol
Exact Mass437.05
IUPAC Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide
SMILESCC(Oc1cc(C(=O)Nc2ccc(=O)[nH]c2)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN5O3/c1-8(15-10(19)3-4-11(21)16(15)20)29-13-6-12(25-26-17(13)22)18(28)24-9-2-5-14(27)23-7-9/h2-8H,1H3,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyAXTAVEOESDPIIH-UHFFFAOYSA-N
XLogP3.59
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.25
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide (CID 44554091) is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide is CC(Oc1cc(C(=O)Nc2ccc(=O)[nH]c2)nnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide?
The InChIKey is AXTAVEOESDPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN5O3/c1-8(15-10(19)3-4-11(21)16(15)20)29-13-6-12(25-26-17(13)22)18(28)24-9-2-5-14(27)23-7-9/h2-8H,1H3,(H2,22,26)(H,23,27)(H,24,28).
What are the key properties of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide?
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide has a molecular weight of 438.25 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(6-oxo-1H-pyridin-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 44554091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).