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

C18H20F3N5O2 — CID 119102246

IUPAC1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O2/c1-11-22-14(18(19,20)21)10-15(23-11)26-8-5-12(6-9-26)24-16(27)13-4-3-7-25(2)17(13)28/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyCADNUTHGAGTCBN-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.90
Rot. Bonds3

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

1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide (PubChem CID 119102246) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide
PubChem CID119102246
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O2/c1-11-22-14(18(19,20)21)10-15(23-11)26-8-5-12(6-9-26)24-16(27)13-4-3-7-25(2)17(13)28/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyCADNUTHGAGTCBN-UHFFFAOYSA-N
XLogP1.90
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide (CID 119102246) is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide is Cc1nc(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is CADNUTHGAGTCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-11-22-14(18(19,20)21)10-15(23-11)26-8-5-12(6-9-26)24-16(27)13-4-3-7-25(2)17(13)28/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,24,27).
What are the key properties of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 119102246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).