2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide

C17H16F2N4O3 — CID 83272211

IUPAC2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)cc2C1
InChIInChI=1S/C17H16F2N4O3/c1-10(24)22-3-2-15-11(8-22)4-17(26)23(21-15)9-16(25)20-14-6-12(18)5-13(19)7-14/h4-7H,2-3,8-9H2,1H3,(H,20,25)
InChIKeyNMRDJIFNZBPGRP-UHFFFAOYSA-N
MW362.34 g/mol
LogP1.06
Rot. Bonds3

About 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide (PubChem CID 83272211) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide
PubChem CID83272211
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide
SMILESCC(=O)N1CCc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)cc2C1
InChIInChI=1S/C17H16F2N4O3/c1-10(24)22-3-2-15-11(8-22)4-17(26)23(21-15)9-16(25)20-14-6-12(18)5-13(19)7-14/h4-7H,2-3,8-9H2,1H3,(H,20,25)
InChIKeyNMRDJIFNZBPGRP-UHFFFAOYSA-N
XLogP1.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 83272210
ethyl 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369781
ethyl 2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369808
N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
CID 92714761
N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75466057
methyl 4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]benzoate
CID 52902310
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 71926452
N-(2-ethylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide
CID 22425572
ethyl 2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369799
N-(6-methoxy-3-pyridinyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53370439
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide (CID 83272211) is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide is CC(=O)N1CCc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)cc2C1.
What is the InChIKey of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide?
The InChIKey is NMRDJIFNZBPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-10(24)22-3-2-15-11(8-22)4-17(26)23(21-15)9-16(25)20-14-6-12(18)5-13(19)7-14/h4-7H,2-3,8-9H2,1H3,(H,20,25).
What are the key properties of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide?
2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide has a molecular weight of 362.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 83272211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).