2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C17H17ClF3N5O2 — CID 47035375

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H17ClF3N5O2/c18-13-8-11(17(19,20)21)9-26(15(13)28)10-14(27)24-12-2-6-25(7-3-12)16-22-4-1-5-23-16/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,24,27)
InChIKeyGLTMIPOCZUTACM-UHFFFAOYSA-N
MW415.80 g/mol
LogP2.10
Rot. Bonds4

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 47035375) has the molecular formula C17H17ClF3N5O2 and a molecular weight of 415.80 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID47035375
Molecular FormulaC17H17ClF3N5O2
Molecular Weight415.80 g/mol
Exact Mass415.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H17ClF3N5O2/c18-13-8-11(17(19,20)21)9-26(15(13)28)10-14(27)24-12-2-6-25(7-3-12)16-22-4-1-5-23-16/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,24,27)
InChIKeyGLTMIPOCZUTACM-UHFFFAOYSA-N
XLogP2.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266609
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4843275
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 47035375) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is GLTMIPOCZUTACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N5O2/c18-13-8-11(17(19,20)21)9-26(15(13)28)10-14(27)24-12-2-6-25(7-3-12)16-22-4-1-5-23-16/h1,4-5,8-9,12H,2-3,6-7,10H2,(H,24,27).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 415.80 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 47035375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).