N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide

C20H19N5O3 — CID 153043553

IUPACN-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
SMILESNC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1nccn1-c1ccccn1
InChIInChI=1S/C20H19N5O3/c21-18(27)17(26)15(10-9-14-6-2-1-3-7-14)24-20(28)19-23-12-13-25(19)16-8-4-5-11-22-16/h1-8,11-13,15H,9-10H2,(H2,21,27)(H,24,28)
InChIKeyVGDWXTVLWWVPRO-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.05
Rot. Bonds8

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

N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide (PubChem CID 153043553) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
PubChem CID153043553
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
SMILESNC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1nccn1-c1ccccn1
InChIInChI=1S/C20H19N5O3/c21-18(27)17(26)15(10-9-14-6-2-1-3-7-14)24-20(28)19-23-12-13-25(19)16-8-4-5-11-22-16/h1-8,11-13,15H,9-10H2,(H2,21,27)(H,24,28)
InChIKeyVGDWXTVLWWVPRO-UHFFFAOYSA-N
XLogP1.05
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.05
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)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153484149
N-[1-amino-5-(furan-3-yl)-1,2-dioxopentan-3-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385833
N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-5-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 153386152
phenyl-(1-pyridin-2-ylimidazol-2-yl)methanone
CID 4737332
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-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386185
N-(4-amino-3,4-dioxo-1-pyrrol-1-ylbutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 148718501
N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 147427786
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385762
N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide
CID 134998800
N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386313
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153386001

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide?
The IUPAC name of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide (CID 153043553) is N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide.
What is the SMILES notation for N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide?
The canonical SMILES for N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide is NC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1nccn1-c1ccccn1.
What is the InChIKey of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide?
The InChIKey is VGDWXTVLWWVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c21-18(27)17(26)15(10-9-14-6-2-1-3-7-14)24-20(28)19-23-12-13-25(19)16-8-4-5-11-22-16/h1-8,11-13,15H,9-10H2,(H2,21,27)(H,24,28).
What are the key properties of N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide?
N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide is sourced from PubChem (CID 153043553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).