N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H20N6O4 — CID 91947900

IUPACN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCn1c(=O)c2[nH]c(CNC(=O)C3CC(=O)N(c4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H20N6O4/c1-23-16-15(18(28)24(2)19(23)29)21-13(22-16)9-20-17(27)11-8-14(26)25(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyYRMZZHLRWHCECA-UHFFFAOYSA-N
MW396.41 g/mol
LogP-0.37
Rot. Bonds4

About N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 91947900) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID91947900
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCn1c(=O)c2[nH]c(CNC(=O)C3CC(=O)N(c4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H20N6O4/c1-23-16-15(18(28)24(2)19(23)29)21-13(22-16)9-20-17(27)11-8-14(26)25(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyYRMZZHLRWHCECA-UHFFFAOYSA-N
XLogP-0.37
TPSA122.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxamide
CID 41032215
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55616079

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 91947900) is N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cn1c(=O)c2[nH]c(CNC(=O)C3CC(=O)N(c4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YRMZZHLRWHCECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-23-16-15(18(28)24(2)19(23)29)21-13(22-16)9-20-17(27)11-8-14(26)25(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,20,27)(H,21,22).
What are the key properties of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 396.41 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91947900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).