5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one

C20H24F3N5O — CID 126890921

IUPAC5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)ccc1=O
InChIInChI=1S/C20H24F3N5O/c1-26-11-14(2-5-19(26)29)12-27-8-6-16(7-9-27)28(15-3-4-15)18-10-17(20(21,22)23)24-13-25-18/h2,5,10-11,13,15-16H,3-4,6-9,12H2,1H3
InChIKeyYFOABUBIUYSCIK-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.83
Rot. Bonds5

About 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one

5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 126890921) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID126890921
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)ccc1=O
InChIInChI=1S/C20H24F3N5O/c1-26-11-14(2-5-19(26)29)12-27-8-6-16(7-9-27)28(15-3-4-15)18-10-17(20(21,22)23)24-13-25-18/h2,5,10-11,13,15-16H,3-4,6-9,12H2,1H3
InChIKeyYFOABUBIUYSCIK-UHFFFAOYSA-N
XLogP2.83
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 126890921) is 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1cc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)ccc1=O.
What is the InChIKey of 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is YFOABUBIUYSCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-26-11-14(2-5-19(26)29)12-27-8-6-16(7-9-27)28(15-3-4-15)18-10-17(20(21,22)23)24-13-25-18/h2,5,10-11,13,15-16H,3-4,6-9,12H2,1H3.
What are the key properties of 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 407.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 126890921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).