N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

C17H12N4O4 — CID 5414471

IUPACN-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1
InChIInChI=1S/C17H12N4O4/c22-17(13-2-1-9-18-10-13)20-19-11-15-7-8-16(25-15)12-3-5-14(6-4-12)21(23)24/h1-11H,(H,20,22)/b19-11-
InChIKeyOHKQJEGTOCPDIP-ODLFYWEKSA-N
MW336.31 g/mol
LogP3.01
Rot. Bonds5

About N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 5414471) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID5414471
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC NameN-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1
InChIInChI=1S/C17H12N4O4/c22-17(13-2-1-9-18-10-13)20-19-11-15-7-8-16(25-15)12-3-5-14(6-4-12)21(23)24/h1-11H,(H,20,22)/b19-11-
InChIKeyOHKQJEGTOCPDIP-ODLFYWEKSA-N
XLogP3.01
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-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-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 126029202
3-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846761
N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 44615975
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215771
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 9059991
3-(diethylsulfamoyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6893231
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 830822
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 5497492
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (CID 5414471) is N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1.
What is the InChIKey of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is OHKQJEGTOCPDIP-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-17(13-2-1-9-18-10-13)20-19-11-15-7-8-16(25-15)12-3-5-14(6-4-12)21(23)24/h1-11H,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5414471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).