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

C24H25N5O4 — CID 55336429

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1
InChIInChI=1S/C24H25N5O4/c1-15-8-10-18(11-9-15)28-14-17(12-19(28)30)23(32)27(2)20-21(25)29(24(33)26-22(20)31)13-16-6-4-3-5-7-16/h3-11,17H,12-14,25H2,1-2H3,(H,26,31,33)
InChIKeyAPZGTXAFSPLPAP-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.49
Rot. Bonds5

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55336429) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55336429
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1
InChIInChI=1S/C24H25N5O4/c1-15-8-10-18(11-9-15)28-14-17(12-19(28)30)23(32)27(2)20-21(25)29(24(33)26-22(20)31)13-16-6-4-3-5-7-16/h3-11,17H,12-14,25H2,1-2H3,(H,26,31,33)
InChIKeyAPZGTXAFSPLPAP-UHFFFAOYSA-N
XLogP1.49
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55336452
(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)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 25163328
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)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55487661
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55336429) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(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)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is APZGTXAFSPLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-15-8-10-18(11-9-15)28-14-17(12-19(28)30)23(32)27(2)20-21(25)29(24(33)26-22(20)31)13-16-6-4-3-5-7-16/h3-11,17H,12-14,25H2,1-2H3,(H,26,31,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.49, 5 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)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55336429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).