2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

C15H14F3N5O2 — CID 167875844

IUPAC2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESCn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C15H14F3N5O2/c1-22-13(24)7-9-8-23(6-5-10(9)21-22)14(25)20-12-4-2-3-11(19-12)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H,19,20,25)
InChIKeyDMXMBZALLCHJAC-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.78
Rot. Bonds1

About 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (PubChem CID 167875844) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
PubChem CID167875844
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESCn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C15H14F3N5O2/c1-22-13(24)7-9-8-23(6-5-10(9)21-22)14(25)20-12-4-2-3-11(19-12)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H,19,20,25)
InChIKeyDMXMBZALLCHJAC-UHFFFAOYSA-N
XLogP1.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 934768
CID 934768
CID 153608766
CID 153608766
CID 27376541
CID 27376541
CID 153609049
CID 153609049
CID 170730314
CID 170730314
CID 42390725
CID 42390725
CID 45496934
CID 45496934
CID 45480139
CID 45480139
CID 75507992
CID 75507992
CID 129488092
CID 129488092
CID 551794
CID 551794
CID 47084510
CID 47084510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (CID 167875844) is 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is Cn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C(F)(F)F)n1)CC2.
What is the InChIKey of 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The InChIKey is DMXMBZALLCHJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-22-13(24)7-9-8-23(6-5-10(9)21-22)14(25)20-12-4-2-3-11(19-12)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H,19,20,25).
What are the key properties of 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 167875844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).