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

C19H17N5O3 — CID 153385592

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccncc1
InChIInChI=1S/C19H17N5O3/c20-18(26)17(25)15(10-13-4-2-1-3-5-13)23-19(27)16-11-22-12-24(16)14-6-8-21-9-7-14/h1-9,11-12,15H,10H2,(H2,20,26)(H,23,27)
InChIKeyLTZVRIPXMRIEQZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP0.66
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide (PubChem CID 153385592) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
PubChem CID153385592
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccncc1
InChIInChI=1S/C19H17N5O3/c20-18(26)17(25)15(10-13-4-2-1-3-5-13)23-19(27)16-11-22-12-24(16)14-6-8-21-9-7-14/h1-9,11-12,15H,10H2,(H2,20,26)(H,23,27)
InChIKeyLTZVRIPXMRIEQZ-UHFFFAOYSA-N
XLogP0.66
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 50.66
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-phenylbutan-2-yl)-3-pyridazin-3-ylimidazole-4-carboxamide
CID 152805159
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indol-3-yl)imidazole-4-carboxamide
CID 147486998
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
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-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385762
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenyltriazole-4-carboxamide
CID 142753841
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide
CID 153386123
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-chloro-1-phenylpyrazole-5-carboxamide
CID 142753520
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-yl-3H-pyrrole-4-carboxamide
CID 153385629
N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 134396793

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide (CID 153385592) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccncc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide?
The InChIKey is LTZVRIPXMRIEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c20-18(26)17(25)15(10-13-4-2-1-3-5-13)23-19(27)16-11-22-12-24(16)14-6-8-21-9-7-14/h1-9,11-12,15H,10H2,(H2,20,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-4-ylimidazole-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 0.66, 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)-3-pyridin-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 153385592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).