N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide

C13H13FN4O — CID 62165617

IUPACN-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(C)ccc2F)nn1
InChIInChI=1S/C13H13FN4O/c1-8-3-4-9(14)11(7-8)16-13(19)10-5-6-12(15-2)18-17-10/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyMYRZBIXXXCBSQC-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.22
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 62165617) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID62165617
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(C)ccc2F)nn1
InChIInChI=1S/C13H13FN4O/c1-8-3-4-9(14)11(7-8)16-13(19)10-5-6-12(15-2)18-17-10/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyMYRZBIXXXCBSQC-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62166760
3-chloro-N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62165789
6-(methylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 62165036
N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79047301
N-(2-fluoro-4-nitrophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62178849
N-(2,6-difluorophenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127605
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
6-(methylamino)-N-(4-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 55203049
5-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 104640093

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 62165617) is N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2cc(C)ccc2F)nn1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is MYRZBIXXXCBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-3-4-9(14)11(7-8)16-13(19)10-5-6-12(15-2)18-17-10/h3-7H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62165617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).