1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one

C19H21F3N4O2 — CID 154883990

IUPAC1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cccn(C)c2=O)C1
InChIInChI=1S/C19H21F3N4O2/c1-24-10-5-7-14(17(24)27)18(28)26-11-4-6-13(12-26)25(2)16-15(19(20,21)22)8-3-9-23-16/h3,5,7-10,13H,4,6,11-12H2,1-2H3
InChIKeyBSDHKOYFIJLVLX-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.54
Rot. Bonds3

About 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one

1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 154883990) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
PubChem CID154883990
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cccn(C)c2=O)C1
InChIInChI=1S/C19H21F3N4O2/c1-24-10-5-7-14(17(24)27)18(28)26-11-4-6-13(12-26)25(2)16-15(19(20,21)22)8-3-9-23-16/h3,5,7-10,13H,4,6,11-12H2,1-2H3
InChIKeyBSDHKOYFIJLVLX-UHFFFAOYSA-N
XLogP2.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 154883988
2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154831210
3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
CID 154884095
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 154831265
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
tert-butyl N-[(3S)-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 97166802
1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one
CID 121187305
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one (CID 154883990) is 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one is CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is BSDHKOYFIJLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-24-10-5-7-14(17(24)27)18(28)26-11-4-6-13(12-26)25(2)16-15(19(20,21)22)8-3-9-23-16/h3,5,7-10,13H,4,6,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one?
1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 394.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 154883990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).