N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C25H27N5O4 — CID 55336452

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1
InChIInChI=1S/C25H27N5O4/c1-3-16-9-11-19(12-10-16)29-15-18(13-20(29)31)24(33)28(2)21-22(26)30(25(34)27-23(21)32)14-17-7-5-4-6-8-17/h4-12,18H,3,13-15,26H2,1-2H3,(H,27,32,34)
InChIKeyJPILHJSUNWXPBG-UHFFFAOYSA-N
MW461.52 g/mol
LogP1.75
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 55336452) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID55336452
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1
InChIInChI=1S/C25H27N5O4/c1-3-16-9-11-19(12-10-16)29-15-18(13-20(29)31)24(33)28(2)21-22(26)30(25(34)27-23(21)32)14-17-7-5-4-6-8-17/h4-12,18H,3,13-15,26H2,1-2H3,(H,27,32,34)
InChIKeyJPILHJSUNWXPBG-UHFFFAOYSA-N
XLogP1.75
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55336429
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide
CID 51151302
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 25163328
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
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-(2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059539
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55487661
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 55336452) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JPILHJSUNWXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-3-16-9-11-19(12-10-16)29-15-18(13-20(29)31)24(33)28(2)21-22(26)30(25(34)27-23(21)32)14-17-7-5-4-6-8-17/h4-12,18H,3,13-15,26H2,1-2H3,(H,27,32,34).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55336452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).