N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide

C14H12N4O4 — CID 4315799

IUPACN-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NCc1ccco1
InChIInChI=1S/C14H12N4O4/c19-14(15-8-12-2-1-5-22-12)9-17-13-4-3-11(18(20)21)6-10(13)7-16-17/h1-7H,8-9H2,(H,15,19)
InChIKeySCVYNRLJUSIMCQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.85
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 4315799) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide
PubChem CID4315799
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC NameN-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NCc1ccco1
InChIInChI=1S/C14H12N4O4/c19-14(15-8-12-2-1-5-22-12)9-17-13-4-3-11(18(20)21)6-10(13)7-16-17/h1-7H,8-9H2,(H,15,19)
InChIKeySCVYNRLJUSIMCQ-UHFFFAOYSA-N
XLogP1.85
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide (CID 4315799) is N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is SCVYNRLJUSIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-14(15-8-12-2-1-5-22-12)9-17-13-4-3-11(18(20)21)6-10(13)7-16-17/h1-7H,8-9H2,(H,15,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 300.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 4315799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).