N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide

C18H20F3N5O2 — CID 154662277

IUPACN-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(Nc3ccccc3C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C18H20F3N5O2/c1-25-16(27)7-6-15(24-25)23-17(28)26-10-8-12(9-11-26)22-14-5-3-2-4-13(14)18(19,20)21/h2-7,12,22H,8-11H2,1H3,(H,23,24,28)
InChIKeyRHFPQVMPEBUJCZ-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.91
Rot. Bonds3

About N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide

N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide (PubChem CID 154662277) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide
PubChem CID154662277
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(Nc3ccccc3C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C18H20F3N5O2/c1-25-16(27)7-6-15(24-25)23-17(28)26-10-8-12(9-11-26)22-14-5-3-2-4-13(14)18(19,20)21/h2-7,12,22H,8-11H2,1H3,(H,23,24,28)
InChIKeyRHFPQVMPEBUJCZ-UHFFFAOYSA-N
XLogP2.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenoxy)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662325
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
4-[2-(3,5-difluorophenyl)ethyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 157412972
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
4-[(2-chloro-3-cyanophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662466
tert-butyl 3-[2-(trifluoromethyl)anilino]pyrrolidine-1-carboxylate
CID 103820804
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121161053
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide (CID 154662277) is N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(Nc3ccccc3C(F)(F)F)CC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide?
The InChIKey is RHFPQVMPEBUJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-25-16(27)7-6-15(24-25)23-17(28)26-10-8-12(9-11-26)22-14-5-3-2-4-13(14)18(19,20)21/h2-7,12,22H,8-11H2,1H3,(H,23,24,28).
What are the key properties of N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide?
N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide is sourced from PubChem (CID 154662277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).