N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide

C21H18N6O4 — CID 153385659

IUPACN-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
SMILESCc1ncc(C(=O)NC(Cc2coc3ncccc23)C(=O)C(N)=O)n1-c1ccccn1
InChIInChI=1S/C21H18N6O4/c1-12-25-10-16(27(12)17-6-2-3-7-23-17)20(30)26-15(18(28)19(22)29)9-13-11-31-21-14(13)5-4-8-24-21/h2-8,10-11,15H,9H2,1H3,(H2,22,29)(H,26,30)
InChIKeyOQBOPALZLOJMJP-UHFFFAOYSA-N
MW418.41 g/mol
LogP1.11
Rot. Bonds7

About N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide

N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 153385659) has the molecular formula C21H18N6O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
PubChem CID153385659
Molecular FormulaC21H18N6O4
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC NameN-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
SMILESCc1ncc(C(=O)NC(Cc2coc3ncccc23)C(=O)C(N)=O)n1-c1ccccn1
InChIInChI=1S/C21H18N6O4/c1-12-25-10-16(27(12)17-6-2-3-7-23-17)20(30)26-15(18(28)19(22)29)9-13-11-31-21-14(13)5-4-8-24-21/h2-8,10-11,15H,9H2,1H3,(H2,22,29)(H,26,30)
InChIKeyOQBOPALZLOJMJP-UHFFFAOYSA-N
XLogP1.11
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-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-1-indolizin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153483974
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-5-[7-[[5-(1-benzofuran-3-yl)-3-[(2-methyl-3-pyridin-2-ylimidazole-4-carbonyl)amino]-2-oxopentanoyl]amino]-1H-indol-3-yl]-1,2-dioxopentan-3-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385342
N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide
CID 153484099
N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385782
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 162146910
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-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153484149

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide?
The IUPAC name of 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) is N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide is Cc1ncc(C(=O)NC(Cc2coc3ncccc23)C(=O)C(N)=O)n1-c1ccccn1.
What is the InChIKey of N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide?
The InChIKey is OQBOPALZLOJMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4/c1-12-25-10-16(27(12)17-6-2-3-7-23-17)20(30)26-15(18(28)19(22)29)9-13-11-31-21-14(13)5-4-8-24-21/h2-8,10-11,15H,9H2,1H3,(H2,22,29)(H,26,30).
What are the key properties of N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide?
N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 153385659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).