N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide

C30H33F3N6O — CID 177354078

IUPACN,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(-c2ccnc(C)c2/C=C(\C)CN2CC=C(c3ccc(C(=O)N(C)C)cc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C30H33F3N6O/c1-19(16-25-20(2)35-13-10-24(25)27-8-9-28(34-3)37-36-27)18-39-14-11-21(12-15-39)23-7-6-22(29(40)38(4)5)17-26(23)30(31,32)33/h6-11,13,16-17H,12,14-15,18H2,1-5H3,(H,34,37)/b19-16+
InChIKeyWOKBRWHSSWOQIX-KNTRCKAVSA-N
MW550.63 g/mol
LogP5.80
Rot. Bonds7

About N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide

N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 177354078) has the molecular formula C30H33F3N6O and a molecular weight of 550.63 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID177354078
Molecular FormulaC30H33F3N6O
Molecular Weight550.63 g/mol
Exact Mass550.27
IUPAC NameN,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(-c2ccnc(C)c2/C=C(\C)CN2CC=C(c3ccc(C(=O)N(C)C)cc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C30H33F3N6O/c1-19(16-25-20(2)35-13-10-24(25)27-8-9-28(34-3)37-36-27)18-39-14-11-21(12-15-39)23-7-6-22(29(40)38(4)5)17-26(23)30(31,32)33/h6-11,13,16-17H,12,14-15,18H2,1-5H3,(H,34,37)/b19-16+
InChIKeyWOKBRWHSSWOQIX-KNTRCKAVSA-N
XLogP5.80
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.63
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-[3-fluoro-5-methyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-methylpropanenitrile
CID 177353657
4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-chloro-N,N-dimethylbenzamide;ethane;methane;propane
CID 177353752
N,N-dimethyl-4-[1-[(2E,5E)-2-methyl-5-[4-(methylamino)-2-oxo-1-pyridinyl]-4-methylidene-7-methyliminohepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide;ethane
CID 177353326
3-amino-5-fluoro-N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353133
4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide
CID 177355093
4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide;ethane
CID 177353959
N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353877
4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 177355964
3-fluoro-N,N,5-trimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[methyl(propyl)boranyl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177356263
N,N-dimethyl-4-[2-methyl-1-[(E)-2-methyl-3-[2-methyl-4-[5-(methylamino)-2-pyridinyl]-3-pyridinyl]prop-2-enyl]piperidin-4-yl]benzamide;ethane
CID 177354664
N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-1-oxidopyridin-1-ium-2-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353521
4-[1-[(E)-3-[4-(5-amino-6-fluoro-2-pyridinyl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177355066

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide (CID 177354078) is N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide is CNc1ccc(-c2ccnc(C)c2/C=C(\C)CN2CC=C(c3ccc(C(=O)N(C)C)cc3C(F)(F)F)CC2)nn1.
What is the InChIKey of N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is WOKBRWHSSWOQIX-KNTRCKAVSA-N. The full InChI is InChI=1S/C30H33F3N6O/c1-19(16-25-20(2)35-13-10-24(25)27-8-9-28(34-3)37-36-27)18-39-14-11-21(12-15-39)23-7-6-22(29(40)38(4)5)17-26(23)30(31,32)33/h6-11,13,16-17H,12,14-15,18H2,1-5H3,(H,34,37)/b19-16+.
What are the key properties of N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide?
N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 550.63 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 177354078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).