4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one

C18H20F3N5O3 — CID 126889649

IUPAC4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(=O)n(C)cc1C(=O)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H20F3N5O3/c1-25-9-12(13(29-2)7-16(25)27)17(28)26-5-3-11(4-6-26)24-15-8-14(18(19,20)21)22-10-23-15/h7-11H,3-6H2,1-2H3,(H,22,23,24)
InChIKeyPNWKWHRXIQRKEQ-UHFFFAOYSA-N
MW411.38 g/mol
LogP1.92
Rot. Bonds4

About 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one

4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 126889649) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one
PubChem CID126889649
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(=O)n(C)cc1C(=O)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H20F3N5O3/c1-25-9-12(13(29-2)7-16(25)27)17(28)26-5-3-11(4-6-26)24-15-8-14(18(19,20)21)22-10-23-15/h7-11H,3-6H2,1-2H3,(H,22,23,24)
InChIKeyPNWKWHRXIQRKEQ-UHFFFAOYSA-N
XLogP1.92
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

(3-methoxy-1-methylpyrazol-4-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887501
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-4-methoxy-1-methylpyridin-2-one
CID 126910517
4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
CID 126852228
4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one
CID 126855456
(2,3-dimethoxyphenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892334
6-tert-butyl-2-[2-[4-(4-methoxy-1-methyl-6-oxopyridine-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913977
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
CID 126889834
4-methoxy-1-methyl-5-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126932008
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887533
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809991

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one (CID 126889649) is 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one is COc1cc(=O)n(C)cc1C(=O)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is PNWKWHRXIQRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-25-9-12(13(29-2)7-16(25)27)17(28)26-5-3-11(4-6-26)24-15-8-14(18(19,20)21)22-10-23-15/h7-11H,3-6H2,1-2H3,(H,22,23,24).
What are the key properties of 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one?
4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 411.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 126889649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).