(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide

C21H25F3N6O4 — CID 169168003

IUPAC(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCC[C@@H]2C(N)=O)c(N)n(Cc2ccc(C(F)(F)F)nc2)c1=O
InChIInChI=1S/C21H25F3N6O4/c1-2-29-19(33)16(14(31)11-28-8-4-3-5-13(28)18(26)32)17(25)30(20(29)34)10-12-6-7-15(27-9-12)21(22,23)24/h6-7,9,13H,2-5,8,10-11,25H2,1H3,(H2,26,32)/t13-/m1/s1
InChIKeyUWEWYQDQTUCJCZ-CYBMUJFWSA-N
MW482.46 g/mol
LogP0.60
Rot. Bonds7

About (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide

(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 169168003) has the molecular formula C21H25F3N6O4 and a molecular weight of 482.46 g/mol. Its IUPAC name is (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID169168003
Molecular FormulaC21H25F3N6O4
Molecular Weight482.46 g/mol
Exact Mass482.19
IUPAC Name(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCC[C@@H]2C(N)=O)c(N)n(Cc2ccc(C(F)(F)F)nc2)c1=O
InChIInChI=1S/C21H25F3N6O4/c1-2-29-19(33)16(14(31)11-28-8-4-3-5-13(28)18(26)32)17(25)30(20(29)34)10-12-6-7-15(27-9-12)21(22,23)24/h6-7,9,13H,2-5,8,10-11,25H2,1H3,(H2,26,32)/t13-/m1/s1
InChIKeyUWEWYQDQTUCJCZ-CYBMUJFWSA-N
XLogP0.60
TPSA146.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
6-amino-5-[2-[(2R)-2-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167799
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2105210
6-amino-5-[2-[2-[amino(hydroxy)methyl]piperidin-1-yl]acetyl]-1,3-bis[(4-methylphenyl)methyl]pyrimidine-2,4-dione
CID 170196961
6-amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione
CID 170195761
6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide
CID 169167817
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-cyclooctylazanium
CID 9265608
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
6-amino-1-benzyl-3-ethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685172
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (CID 169168003) is (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is CCn1c(=O)c(C(=O)CN2CCCC[C@@H]2C(N)=O)c(N)n(Cc2ccc(C(F)(F)F)nc2)c1=O.
What is the InChIKey of (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is UWEWYQDQTUCJCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25F3N6O4/c1-2-29-19(33)16(14(31)11-28-8-4-3-5-13(28)18(26)32)17(25)30(20(29)34)10-12-6-7-15(27-9-12)21(22,23)24/h6-7,9,13H,2-5,8,10-11,25H2,1H3,(H2,26,32)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 482.46 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 169168003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).