N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C21H21F3N4O3 — CID 30260255

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N(C)C)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N4O3/c1-13-11-17(29)19(20(30)25-12-16(27(2)3)18-9-6-10-31-18)26-28(13)15-8-5-4-7-14(15)21(22,23)24/h4-11,16H,12H2,1-3H3,(H,25,30)/t16-/m1/s1
InChIKeyZWYAEJWWXKTAAR-MRXNPFEDSA-N
MW434.42 g/mol
LogP3.19
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 30260255) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID30260255
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N(C)C)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N4O3/c1-13-11-17(29)19(20(30)25-12-16(27(2)3)18-9-6-10-31-18)26-28(13)15-8-5-4-7-14(15)21(22,23)24/h4-11,16H,12H2,1-3H3,(H,25,30)/t16-/m1/s1
InChIKeyZWYAEJWWXKTAAR-MRXNPFEDSA-N
XLogP3.19
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide 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 N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 30260255) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N(C)C)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is ZWYAEJWWXKTAAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-13-11-17(29)19(20(30)25-12-16(27(2)3)18-9-6-10-31-18)26-28(13)15-8-5-4-7-14(15)21(22,23)24/h4-11,16H,12H2,1-3H3,(H,25,30)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 30260255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).