N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide

C19H21F3N4O3 — CID 31239954

IUPACN-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C19H21F3N4O3/c1-3-11-26-17(28)10-9-15(24-26)18(29)25(4-2)12-16(27)23-14-8-6-5-7-13(14)19(20,21)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,27)
InChIKeyUKERZBWPLVOXJN-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.77
Rot. Bonds7

About N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide

N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide (PubChem CID 31239954) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide
PubChem CID31239954
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C19H21F3N4O3/c1-3-11-26-17(28)10-9-15(24-26)18(29)25(4-2)12-16(27)23-14-8-6-5-7-13(14)19(20,21)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,27)
InChIKeyUKERZBWPLVOXJN-UHFFFAOYSA-N
XLogP2.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide (CID 31239954) is N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)ccc1=O.
What is the InChIKey of N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide?
The InChIKey is UKERZBWPLVOXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-3-11-26-17(28)10-9-15(24-26)18(29)25(4-2)12-16(27)23-14-8-6-5-7-13(14)19(20,21)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide?
N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 31239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).