(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C25H35N5O4 — CID 26200543

IUPAC(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C25H35N5O4/c1-5-6-11-29-22(26)21(23(32)27-25(29)34)30(13-16(2)3)24(33)19-12-20(31)28(15-19)14-18-9-7-17(4)8-10-18/h7-10,16,19H,5-6,11-15,26H2,1-4H3,(H,27,32,34)/t19-/m1/s1
InChIKeyYTGPFNMOJJVCDH-LJQANCHMSA-N
MW469.59 g/mol
LogP2.27
Rot. Bonds9

About (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 26200543) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID26200543
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C25H35N5O4/c1-5-6-11-29-22(26)21(23(32)27-25(29)34)30(13-16(2)3)24(33)19-12-20(31)28(15-19)14-18-9-7-17(4)8-10-18/h7-10,16,19H,5-6,11-15,26H2,1-4H3,(H,27,32,34)/t19-/m1/s1
InChIKeyYTGPFNMOJJVCDH-LJQANCHMSA-N
XLogP2.27
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24818202
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-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide
CID 42999835
(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)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
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-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 55339639
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 26200543) is (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YTGPFNMOJJVCDH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-5-6-11-29-22(26)21(23(32)27-25(29)34)30(13-16(2)3)24(33)19-12-20(31)28(15-19)14-18-9-7-17(4)8-10-18/h7-10,16,19H,5-6,11-15,26H2,1-4H3,(H,27,32,34)/t19-/m1/s1.
What are the key properties of (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.27, 9 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)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26200543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).