6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide

C15H17FN4O2 — CID 133329611

IUPAC6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCCOc1ccc(CNc2ccc(C(=O)NC)nn2)cc1F
InChIInChI=1S/C15H17FN4O2/c1-3-22-13-6-4-10(8-11(13)16)9-18-14-7-5-12(19-20-14)15(21)17-2/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySTGUOKYPJKMHKY-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.99
Rot. Bonds6

About 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide

6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133329611) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133329611
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCCOc1ccc(CNc2ccc(C(=O)NC)nn2)cc1F
InChIInChI=1S/C15H17FN4O2/c1-3-22-13-6-4-10(8-11(13)16)9-18-14-7-5-12(19-20-14)15(21)17-2/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySTGUOKYPJKMHKY-UHFFFAOYSA-N
XLogP1.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133342969
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-(naphthalen-2-ylmethylamino)pyridazine-3-carboxamide
CID 133328883
N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 110793966
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854
methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate
CID 133274466
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
CID 133397231
3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295075

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide (CID 133329611) is 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide is CCOc1ccc(CNc2ccc(C(=O)NC)nn2)cc1F.
What is the InChIKey of 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is STGUOKYPJKMHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-3-22-13-6-4-10(8-11(13)16)9-18-14-7-5-12(19-20-14)15(21)17-2/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide?
6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133329611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).