(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C22H26F3N5O4 — CID 39911259

IUPAC(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26F3N5O4/c1-3-5-9-29-18(26)17(19(32)27-21(29)34)28(4-2)20(33)13-10-16(31)30(12-13)15-8-6-7-14(11-15)22(23,24)25/h6-8,11,13H,3-5,9-10,12,26H2,1-2H3,(H,27,32,34)/t13-/m1/s1
InChIKeySYMHXJYWQUFJAQ-CYBMUJFWSA-N
MW481.48 g/mol
LogP2.34
Rot. Bonds7

About (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 39911259) has the molecular formula C22H26F3N5O4 and a molecular weight of 481.48 g/mol. Its IUPAC name is (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID39911259
Molecular FormulaC22H26F3N5O4
Molecular Weight481.48 g/mol
Exact Mass481.19
IUPAC Name(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26F3N5O4/c1-3-5-9-29-18(26)17(19(32)27-21(29)34)28(4-2)20(33)13-10-16(31)30(12-13)15-8-6-7-14(11-15)22(23,24)25/h6-8,11,13H,3-5,9-10,12,26H2,1-2H3,(H,27,32,34)/t13-/m1/s1
InChIKeySYMHXJYWQUFJAQ-CYBMUJFWSA-N
XLogP2.34
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42916348
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43059528
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 43044279
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26200710
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55556258
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 42999728
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 26200566
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42989497
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22108588
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 39911259) is (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CCCCn1c(N)c(N(CC)C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(=O)[nH]c1=O.
What is the InChIKey of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SYMHXJYWQUFJAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H26F3N5O4/c1-3-5-9-29-18(26)17(19(32)27-21(29)34)28(4-2)20(33)13-10-16(31)30(12-13)15-8-6-7-14(11-15)22(23,24)25/h6-8,11,13H,3-5,9-10,12,26H2,1-2H3,(H,27,32,34)/t13-/m1/s1.
What are the key properties of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 481.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 39911259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).