6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H17F3N6O2 — CID 91631379

IUPAC6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)=NN1
InChIInChI=1S/C15H17F3N6O2/c16-15(17,18)11-7-12(20-8-19-11)24-5-3-9(4-6-24)21-14(26)10-1-2-13(25)23-22-10/h7-9H,1-6H2,(H,21,26)(H,23,25)
InChIKeyDWDUJTXYVHRYBF-UHFFFAOYSA-N
MW370.34 g/mol
LogP0.85
Rot. Bonds3

About 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 91631379) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID91631379
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)=NN1
InChIInChI=1S/C15H17F3N6O2/c16-15(17,18)11-7-12(20-8-19-11)24-5-3-9(4-6-24)21-14(26)10-1-2-13(25)23-22-10/h7-9H,1-6H2,(H,21,26)(H,23,25)
InChIKeyDWDUJTXYVHRYBF-UHFFFAOYSA-N
XLogP0.85
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 91631379) is 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)=NN1.
What is the InChIKey of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is DWDUJTXYVHRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c16-15(17,18)11-7-12(20-8-19-11)24-5-3-9(4-6-24)21-14(26)10-1-2-13(25)23-22-10/h7-9H,1-6H2,(H,21,26)(H,23,25).
What are the key properties of 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 91631379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).