6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide

C19H16Cl2FN5O3 — CID 134261356

IUPAC6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(OCCc3c(Cl)ccc(F)c3Cl)c(N)nn2)ccn1
InChIInChI=1S/C19H16Cl2FN5O3/c1-29-16-8-10(4-6-24-16)25-19(28)14-9-15(18(23)27-26-14)30-7-5-11-12(20)2-3-13(22)17(11)21/h2-4,6,8-9H,5,7H2,1H3,(H2,23,27)(H,24,25,28)
InChIKeyDBGQMCJYGLSBDO-UHFFFAOYSA-N
MW452.27 g/mol
LogP3.78
Rot. Bonds7

About 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide

6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide (PubChem CID 134261356) has the molecular formula C19H16Cl2FN5O3 and a molecular weight of 452.27 g/mol. Its IUPAC name is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
PubChem CID134261356
Molecular FormulaC19H16Cl2FN5O3
Molecular Weight452.27 g/mol
Exact Mass451.06
IUPAC Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(OCCc3c(Cl)ccc(F)c3Cl)c(N)nn2)ccn1
InChIInChI=1S/C19H16Cl2FN5O3/c1-29-16-8-10(4-6-24-16)25-19(28)14-9-15(18(23)27-26-14)30-7-5-11-12(20)2-3-13(22)17(11)21/h2-4,6,8-9H,5,7H2,1H3,(H2,23,27)(H,24,25,28)
InChIKeyDBGQMCJYGLSBDO-UHFFFAOYSA-N
XLogP3.78
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.27
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide (CID 134261356) is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide is COc1cc(NC(=O)c2cc(OCCc3c(Cl)ccc(F)c3Cl)c(N)nn2)ccn1.
What is the InChIKey of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide?
The InChIKey is DBGQMCJYGLSBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O3/c1-29-16-8-10(4-6-24-16)25-19(28)14-9-15(18(23)27-26-14)30-7-5-11-12(20)2-3-13(22)17(11)21/h2-4,6,8-9H,5,7H2,1H3,(H2,23,27)(H,24,25,28).
What are the key properties of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide?
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide has a molecular weight of 452.27 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide is sourced from PubChem (CID 134261356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).