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

C13H13FN4O — CID 62166760

IUPACN-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(F)ccc2C)nn1
InChIInChI=1S/C13H13FN4O/c1-8-3-4-9(14)7-11(8)16-13(19)10-5-6-12(15-2)18-17-10/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyPDSLXUIGJQXNMD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.22
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 62166760) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID62166760
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(F)ccc2C)nn1
InChIInChI=1S/C13H13FN4O/c1-8-3-4-9(14)7-11(8)16-13(19)10-5-6-12(15-2)18-17-10/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyPDSLXUIGJQXNMD-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-(2-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62165617
6-(methylamino)-N-(4-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 55203049
N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79047301
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
N-(5-fluoro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236103
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
N-(5-fluoro-2-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62249406
N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167720
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109124809
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 62166760) is N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2cc(F)ccc2C)nn1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is PDSLXUIGJQXNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-3-4-9(14)7-11(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-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62166760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).