2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide

C17H19F3N4O2 — CID 29105698

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ncc(N(C)C)cc1=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O2/c1-11(13-6-4-5-7-14(13)17(18,19)20)22-15(25)10-24-16(26)8-12(9-21-24)23(2)3/h4-9,11H,10H2,1-3H3,(H,22,25)/t11-/m0/s1
InChIKeyXYDDHHBITRHVPU-NSHDSACASA-N
MW368.36 g/mol
LogP2.21
Rot. Bonds5

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 29105698) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID29105698
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ncc(N(C)C)cc1=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O2/c1-11(13-6-4-5-7-14(13)17(18,19)20)22-15(25)10-24-16(26)8-12(9-21-24)23(2)3/h4-9,11H,10H2,1-3H3,(H,22,25)/t11-/m0/s1
InChIKeyXYDDHHBITRHVPU-NSHDSACASA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 45226784
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
CID 99926183
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 97277107
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
CID 114397466
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
potassium 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746469
5-(dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073051
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 42949419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide (CID 29105698) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide is C[C@H](NC(=O)Cn1ncc(N(C)C)cc1=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is XYDDHHBITRHVPU-NSHDSACASA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11(13-6-4-5-7-14(13)17(18,19)20)22-15(25)10-24-16(26)8-12(9-21-24)23(2)3/h4-9,11H,10H2,1-3H3,(H,22,25)/t11-/m0/s1.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 29105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).