2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C20H17F3N4O3 — CID 139389922

IUPAC2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)ccn1
InChIInChI=1S/C20H17F3N4O3/c1-12(19(29)25-15-5-3-14(4-6-15)20(21,22)23)27-18(28)8-7-16(26-27)13-9-10-24-17(11-13)30-2/h3-12H,1-2H3,(H,25,29)
InChIKeySZSAJNAHOCARJP-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.53
Rot. Bonds5

About 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 139389922) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID139389922
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)ccn1
InChIInChI=1S/C20H17F3N4O3/c1-12(19(29)25-15-5-3-14(4-6-15)20(21,22)23)27-18(28)8-7-16(26-27)13-9-10-24-17(11-13)30-2/h3-12H,1-2H3,(H,25,29)
InChIKeySZSAJNAHOCARJP-UHFFFAOYSA-N
XLogP3.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 139389922) is 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is COc1cc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)ccn1.
What is the InChIKey of 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SZSAJNAHOCARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-12(19(29)25-15-5-3-14(4-6-15)20(21,22)23)27-18(28)8-7-16(26-27)13-9-10-24-17(11-13)30-2/h3-12H,1-2H3,(H,25,29).
What are the key properties of 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 418.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-4-pyridinyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 139389922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).