4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide

C20H17ClF3N5O2 — CID 26448084

IUPAC4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1
InChIInChI=1S/C20H17ClF3N5O2/c1-25-18(30)13-5-3-12(4-6-13)11-28(2)15-10-27-29(19(31)17(15)21)16-8-7-14(9-26-16)20(22,23)24/h3-10H,11H2,1-2H3,(H,25,30)
InChIKeyUWIKCYFEAHLKQI-UHFFFAOYSA-N
MW451.84 g/mol
LogP3.30
Rot. Bonds5

About 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide

4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 26448084) has the molecular formula C20H17ClF3N5O2 and a molecular weight of 451.84 g/mol. Its IUPAC name is 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide
PubChem CID26448084
Molecular FormulaC20H17ClF3N5O2
Molecular Weight451.84 g/mol
Exact Mass451.10
IUPAC Name4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1
InChIInChI=1S/C20H17ClF3N5O2/c1-25-18(30)13-5-3-12(4-6-13)11-28(2)15-10-27-29(19(31)17(15)21)16-8-7-14(9-26-16)20(22,23)24/h3-10H,11H2,1-2H3,(H,25,30)
InChIKeyUWIKCYFEAHLKQI-UHFFFAOYSA-N
XLogP3.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

3-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]benzonitrile
CID 55600039
4-chloro-5-[cyclohexylmethyl(methyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 25470822
4-chloro-5-[(4-methylsulfonylphenyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60503092
3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507712
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]acetamide
CID 17419898
5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 55511508
tert-butyl N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-propan-2-ylamino]ethyl]-N-methylcarbamate
CID 167984865
2-[4-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide
CID 55431755
4-chloro-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133337934
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide (CID 26448084) is 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1.
What is the InChIKey of 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is UWIKCYFEAHLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O2/c1-25-18(30)13-5-3-12(4-6-13)11-28(2)15-10-27-29(19(31)17(15)21)16-8-7-14(9-26-16)20(22,23)24/h3-10H,11H2,1-2H3,(H,25,30).
What are the key properties of 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide?
4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 451.84 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 26448084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).