N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H24F3N5O2 — CID 126931000

IUPACN-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)n1nc(N2CCCCC2CNC(=O)c2ccc(C(F)(F)F)nc2)ccc1=O
InChIInChI=1S/C20H24F3N5O2/c1-13(2)28-18(29)9-8-17(26-28)27-10-4-3-5-15(27)12-25-19(30)14-6-7-16(24-11-14)20(21,22)23/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,25,30)
InChIKeyDPYMCDMNQYIRKX-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.03
Rot. Bonds5

About N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 126931000) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID126931000
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC NameN-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)n1nc(N2CCCCC2CNC(=O)c2ccc(C(F)(F)F)nc2)ccc1=O
InChIInChI=1S/C20H24F3N5O2/c1-13(2)28-18(29)9-8-17(26-28)27-10-4-3-5-15(27)12-25-19(30)14-6-7-16(24-11-14)20(21,22)23/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,25,30)
InChIKeyDPYMCDMNQYIRKX-UHFFFAOYSA-N
XLogP3.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 126931012
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
2-propan-2-yl-6-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931096
2,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]furan-3-carboxamide
CID 126930983
1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide
CID 126931038
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133377027
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931127
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931513

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 126931000) is N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)n1nc(N2CCCCC2CNC(=O)c2ccc(C(F)(F)F)nc2)ccc1=O.
What is the InChIKey of N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DPYMCDMNQYIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-13(2)28-18(29)9-8-17(26-28)27-10-4-3-5-15(27)12-25-19(30)14-6-7-16(24-11-14)20(21,22)23/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,25,30).
What are the key properties of N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126931000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).