N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C20H22F3N5O2 — CID 110266950

IUPACN-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N5O2/c1-12(29)25-11-17(30)28-8-3-2-7-16(28)18-15(10-26-19(24)27-18)13-5-4-6-14(9-13)20(21,22)23/h4-6,9-10,16H,2-3,7-8,11H2,1H3,(H,25,29)(H2,24,26,27)
InChIKeyDQWUURYOOLAMQC-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.93
Rot. Bonds4

About N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110266950) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110266950
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N5O2/c1-12(29)25-11-17(30)28-8-3-2-7-16(28)18-15(10-26-19(24)27-18)13-5-4-6-14(9-13)20(21,22)23/h4-6,9-10,16H,2-3,7-8,11H2,1H3,(H,25,29)(H2,24,26,27)
InChIKeyDQWUURYOOLAMQC-UHFFFAOYSA-N
XLogP2.93
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-cyclopentylethanone
CID 95837022
1-[(2R)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 95836834
1-[(2S)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 129455118
3-[4-[(2S)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 125016515
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
1-[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95837037
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95837225
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95827720
1-[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836986

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 110266950) is N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is DQWUURYOOLAMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-12(29)25-11-17(30)28-8-3-2-7-16(28)18-15(10-26-19(24)27-18)13-5-4-6-14(9-13)20(21,22)23/h4-6,9-10,16H,2-3,7-8,11H2,1H3,(H,25,29)(H2,24,26,27).
What are the key properties of N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 421.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110266950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).