N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide

C20H19N5O3 — CID 153484149

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccn1
InChIInChI=1S/C20H19N5O3/c1-13-12-23-19(25(13)16-9-5-6-10-22-16)20(28)24-15(17(26)18(21)27)11-14-7-3-2-4-8-14/h2-10,12,15H,11H2,1H3,(H2,21,27)(H,24,28)
InChIKeyMFTKCUUXPGGVFR-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.97
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide (PubChem CID 153484149) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
PubChem CID153484149
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccn1
InChIInChI=1S/C20H19N5O3/c1-13-12-23-19(25(13)16-9-5-6-10-22-16)20(28)24-15(17(26)18(21)27)11-14-7-3-2-4-8-14/h2-10,12,15H,11H2,1H3,(H2,21,27)(H,24,28)
InChIKeyMFTKCUUXPGGVFR-UHFFFAOYSA-N
XLogP0.97
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-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-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153386001
3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide
CID 153385475
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 70032001
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
CID 153043553
3-[(5-methyl-2-pyridin-2-ylpyrazole-3-carbonyl)amino]-2-oxo-4-phenylbutanoic acid
CID 153386087
N-(4-amino-3,4-dioxo-1-pyrrol-1-ylbutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 148718501
N-(4-amino-1-indolizin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153483974
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-(1H-pyrrol-2-yl)imidazole-4-carboxamide
CID 153386249
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385785
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridazin-3-ylimidazole-4-carboxamide
CID 152805159
N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385659

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide (CID 153484149) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide is Cc1cnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide?
The InChIKey is MFTKCUUXPGGVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-12-23-19(25(13)16-9-5-6-10-22-16)20(28)24-15(17(26)18(21)27)11-14-7-3-2-4-8-14/h2-10,12,15H,11H2,1H3,(H2,21,27)(H,24,28).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide is sourced from PubChem (CID 153484149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).