N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide

C16H14N6O4 — CID 149453599

IUPACN-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccco1)NC(=O)c1ccnn1-c1ncccn1
InChIInChI=1S/C16H14N6O4/c17-14(24)13(23)11(9-10-3-1-8-26-10)21-15(25)12-4-7-20-22(12)16-18-5-2-6-19-16/h1-8,11H,9H2,(H2,17,24)(H,21,25)
InChIKeyYYCMRQNRZJDRST-UHFFFAOYSA-N
MW354.33 g/mol
LogP-0.35
Rot. Bonds7

About N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide

N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 149453599) has the molecular formula C16H14N6O4 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide
PubChem CID149453599
Molecular FormulaC16H14N6O4
Molecular Weight354.33 g/mol
Exact Mass354.11
IUPAC NameN-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccco1)NC(=O)c1ccnn1-c1ncccn1
InChIInChI=1S/C16H14N6O4/c17-14(24)13(23)11(9-10-3-1-8-26-10)21-15(25)12-4-7-20-22(12)16-18-5-2-6-19-16/h1-8,11H,9H2,(H2,17,24)(H,21,25)
InChIKeyYYCMRQNRZJDRST-UHFFFAOYSA-N
XLogP-0.35
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-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-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 153385510
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide
CID 153386281
N-[4-amino-3,4-dioxo-1-(4H-thieno[3,2-b]pyrrol-6-yl)butan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153385581
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153385349
N-[4-amino-1-(4H-furo[3,2-b]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153386037
N-[1-amino-5-(1-benzothiophen-3-yl)-1,2-dioxopentan-3-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 147427786
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054
N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386313

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide (CID 149453599) is N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide is NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1ccnn1-c1ncccn1.
What is the InChIKey of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The InChIKey is YYCMRQNRZJDRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4/c17-14(24)13(23)11(9-10-3-1-8-26-10)21-15(25)12-4-7-20-22(12)16-18-5-2-6-19-16/h1-8,11H,9H2,(H2,17,24)(H,21,25).
What are the key properties of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide?
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of -0.35, 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-(furan-2-yl)-3,4-dioxobutan-2-yl]-2-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 149453599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).