(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone

C16H11N3O4 — CID 53414411

IUPAC(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone
SMILESNc1cnccc1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C16H11N3O4/c17-13-9-18-7-6-12(13)16(20)15-5-4-14(23-15)10-2-1-3-11(8-10)19(21)22/h1-9H,17H2
InChIKeyOWMRUAPQMRYIKP-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.06
Rot. Bonds4

About (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone

(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone (PubChem CID 53414411) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone
PubChem CID53414411
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone
SMILESNc1cnccc1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C16H11N3O4/c17-13-9-18-7-6-12(13)16(20)15-5-4-14(23-15)10-2-1-3-11(8-10)19(21)22/h1-9H,17H2
InChIKeyOWMRUAPQMRYIKP-UHFFFAOYSA-N
XLogP3.06
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.06
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 (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone 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-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide
CID 8990852
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
5-(3-nitrophenyl)furan-2-carbothioamide
CID 82118861
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
prop-2-ynyl 5-(3-nitrophenyl)furan-2-carboxylate
CID 95911119
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 738264
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone?
The IUPAC name of (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone (CID 53414411) is (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone is Nc1cnccc1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone?
The InChIKey is OWMRUAPQMRYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c17-13-9-18-7-6-12(13)16(20)15-5-4-14(23-15)10-2-1-3-11(8-10)19(21)22/h1-9H,17H2.
What are the key properties of (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone?
(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone has a molecular weight of 309.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone is sourced from PubChem (CID 53414411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).