N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C16H17F3N6O2 — CID 91631434

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6O2/c1-9-20-12(16(17,18)19)8-13(21-9)25-6-4-10(5-7-25)22-15(27)11-2-3-14(26)24-23-11/h2-3,8,10H,4-7H2,1H3,(H,22,27)(H,24,26)
InChIKeyAHXFVGBBRDNYGM-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.29
Rot. Bonds3

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 91631434) has the molecular formula C16H17F3N6O2 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID91631434
Molecular FormulaC16H17F3N6O2
Molecular Weight382.35 g/mol
Exact Mass382.14
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6O2/c1-9-20-12(16(17,18)19)8-13(21-9)25-6-4-10(5-7-25)22-15(27)11-2-3-14(26)24-23-11/h2-3,8,10H,4-7H2,1H3,(H,22,27)(H,24,26)
InChIKeyAHXFVGBBRDNYGM-UHFFFAOYSA-N
XLogP1.29
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 91631434) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1nc(N2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is AHXFVGBBRDNYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O2/c1-9-20-12(16(17,18)19)8-13(21-9)25-6-4-10(5-7-25)22-15(27)11-2-3-14(26)24-23-11/h2-3,8,10H,4-7H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 91631434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).