3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide

C16H17F3N4O — CID 133433466

IUPAC3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C16H17F3N4O/c1-10(2)9-15(24)21-12-5-3-11(4-6-12)20-14-8-7-13(22-23-14)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBYMJFSNQBIFOHI-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.22
Rot. Bonds5

About 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide

3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide (PubChem CID 133433466) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
PubChem CID133433466
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C16H17F3N4O/c1-10(2)9-15(24)21-12-5-3-11(4-6-12)20-14-8-7-13(22-23-14)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBYMJFSNQBIFOHI-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
CID 113344409
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide
CID 119894014
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113050208
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
3-methyl-N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]butanamide
CID 143814531
3-methyl-N-[4-[2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]butanamide
CID 4793081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide (CID 133433466) is 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide?
The InChIKey is BYMJFSNQBIFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(2)9-15(24)21-12-5-3-11(4-6-12)20-14-8-7-13(22-23-14)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide?
3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide has a molecular weight of 338.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide is sourced from PubChem (CID 133433466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).