6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C11H9ClFN5O — CID 86689737

IUPAC6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1nc(Nc2cc(Cl)nnc2C(N)=O)ccc1F
InChIInChI=1S/C11H9ClFN5O/c1-5-6(13)2-3-9(15-5)16-7-4-8(12)17-18-10(7)11(14)19/h2-4H,1H3,(H2,14,19)(H,15,16,17)
InChIKeyKWFYTNHCVDTROA-UHFFFAOYSA-N
MW281.68 g/mol
LogP1.82
Rot. Bonds3

About 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 86689737) has the molecular formula C11H9ClFN5O and a molecular weight of 281.68 g/mol. Its IUPAC name is 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID86689737
Molecular FormulaC11H9ClFN5O
Molecular Weight281.68 g/mol
Exact Mass281.05
IUPAC Name6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1nc(Nc2cc(Cl)nnc2C(N)=O)ccc1F
InChIInChI=1S/C11H9ClFN5O/c1-5-6(13)2-3-9(15-5)16-7-4-8(12)17-18-10(7)11(14)19/h2-4H,1H3,(H2,14,19)(H,15,16,17)
InChIKeyKWFYTNHCVDTROA-UHFFFAOYSA-N
XLogP1.82
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 86689737) is 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1nc(Nc2cc(Cl)nnc2C(N)=O)ccc1F.
What is the InChIKey of 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is KWFYTNHCVDTROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5O/c1-5-6(13)2-3-9(15-5)16-7-4-8(12)17-18-10(7)11(14)19/h2-4H,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 281.68 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 86689737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).