6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide

C19H16Cl2FN5O3 — CID 56951325

IUPAC6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide
SMILESC[C@@H](Oc1cc(C(=O)Nc2ccc(=O)n(C)c2)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H16Cl2FN5O3/c1-9(16-11(20)4-5-12(22)17(16)21)30-14-7-13(25-26-18(14)23)19(29)24-10-3-6-15(28)27(2)8-10/h3-9H,1-2H3,(H2,23,26)(H,24,29)/t9-/m1/s1
InChIKeyCAHIYUNFMZWRQZ-SECBINFHSA-N
MW452.27 g/mol
LogP3.60
Rot. Bonds5

About 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide

6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide (PubChem CID 56951325) has the molecular formula C19H16Cl2FN5O3 and a molecular weight of 452.27 g/mol. Its IUPAC name is 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide
PubChem CID56951325
Molecular FormulaC19H16Cl2FN5O3
Molecular Weight452.27 g/mol
Exact Mass451.06
IUPAC Name6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide
SMILESC[C@@H](Oc1cc(C(=O)Nc2ccc(=O)n(C)c2)nnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H16Cl2FN5O3/c1-9(16-11(20)4-5-12(22)17(16)21)30-14-7-13(25-26-18(14)23)19(29)24-10-3-6-15(28)27(2)8-10/h3-9H,1-2H3,(H2,23,26)(H,24,29)/t9-/m1/s1
InChIKeyCAHIYUNFMZWRQZ-SECBINFHSA-N
XLogP3.60
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.27
LogP ≤ 53.60
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-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide (CID 56951325) is 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide is C[C@@H](Oc1cc(C(=O)Nc2ccc(=O)n(C)c2)nnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide?
The InChIKey is CAHIYUNFMZWRQZ-SECBINFHSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O3/c1-9(16-11(20)4-5-12(22)17(16)21)30-14-7-13(25-26-18(14)23)19(29)24-10-3-6-15(28)27(2)8-10/h3-9H,1-2H3,(H2,23,26)(H,24,29)/t9-/m1/s1.
What are the key properties of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide?
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide has a molecular weight of 452.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-methyl-6-oxo-3-pyridinyl)pyridazine-3-carboxamide is sourced from PubChem (CID 56951325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).