(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H22F3N5O2 — CID 25288091

IUPAC(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C20H22F3N5O2/c1-13-10-16(20(21,22)23)27-17(26-13)7-9-25-19(30)14-5-6-18(29)28(11-14)12-15-4-2-3-8-24-15/h2-4,8,10,14H,5-7,9,11-12H2,1H3,(H,25,30)/t14-/m0/s1
InChIKeyZMXGIAJQDSHLIM-AWEZNQCLSA-N
MW421.42 g/mol
LogP2.30
Rot. Bonds6

About (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 25288091) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID25288091
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C20H22F3N5O2/c1-13-10-16(20(21,22)23)27-17(26-13)7-9-25-19(30)14-5-6-18(29)28(11-14)12-15-4-2-3-8-24-15/h2-4,8,10,14H,5-7,9,11-12H2,1H3,(H,25,30)/t14-/m0/s1
InChIKeyZMXGIAJQDSHLIM-AWEZNQCLSA-N
XLogP2.30
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45169229
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
CID 42199281
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(1S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 95986255
methyl 4-[[[(3R)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 42099038
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 25288091) is (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)n1.
What is the InChIKey of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ZMXGIAJQDSHLIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-13-10-16(20(21,22)23)27-17(26-13)7-9-25-19(30)14-5-6-18(29)28(11-14)12-15-4-2-3-8-24-15/h2-4,8,10,14H,5-7,9,11-12H2,1H3,(H,25,30)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 25288091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).