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

C20H19N5O3 — CID 153385922

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
SMILESCc1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccncc1
InChIInChI=1S/C20H19N5O3/c1-13-23-12-17(25(13)15-7-9-22-10-8-15)20(28)24-16(18(26)19(21)27)11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28)
InChIKeyHTVKIPWSBHZGMH-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.97
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide (PubChem CID 153385922) 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)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
PubChem CID153385922
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
SMILESCc1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccncc1
InChIInChI=1S/C20H19N5O3/c1-13-23-12-17(25(13)15-7-9-22-10-8-15)20(28)24-16(18(26)19(21)27)11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28)
InChIKeyHTVKIPWSBHZGMH-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'}

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Related Compounds

N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide
CID 149276444
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-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385592
N-[4-amino-1-(1-benzofuran-3-yl)-3,4-dioxobutan-2-yl]-2-methyl-3-phenylimidazole-4-carboxamide
CID 153385382
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-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153385349
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153484149
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyltriazole-4-carboxamide
CID 142753841
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-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)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide (CID 153385922) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide is Cc1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccncc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide?
The InChIKey is HTVKIPWSBHZGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-23-12-17(25(13)15-7-9-22-10-8-15)20(28)24-16(18(26)19(21)27)11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-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)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 153385922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).