N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide

C25H23F3N4O3 — CID 37019588

IUPACN-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCc1cc(=O)c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O3/c1-16-15-21(33)22(30-32(16)20-10-6-5-9-19(20)25(26,27)28)24(35)31-13-11-18(12-14-31)29-23(34)17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H,29,34)
InChIKeyHJNRZVINORHLOB-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.59
Rot. Bonds4

About N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide

N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 37019588) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID37019588
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide
SMILESCc1cc(=O)c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O3/c1-16-15-21(33)22(30-32(16)20-10-6-5-9-19(20)25(26,27)28)24(35)31-13-11-18(12-14-31)29-23(34)17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H,29,34)
InChIKeyHJNRZVINORHLOB-UHFFFAOYSA-N
XLogP3.59
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 119483274
3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 24539861
1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810048
3-[3-(3-hydroxypyrrolidin-1-yl)pyrrolidine-1-carbonyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 154806915
6-methyl-3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 55395574
6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 120598465
6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 55394148
6-methyl-3-[4-(2-nitrophenyl)piperazine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 60605761
3-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 43071897
6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 43067379
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide (CID 37019588) is N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide is Cc1cc(=O)c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is HJNRZVINORHLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-16-15-21(33)22(30-32(16)20-10-6-5-9-19(20)25(26,27)28)24(35)31-13-11-18(12-14-31)29-23(34)17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H,29,34).
What are the key properties of N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide?
N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 484.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 37019588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).