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

C17H12N4O4 — CID 831247

IUPACN-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1
InChIInChI=1S/C17H12N4O4/c22-17(15-6-1-2-9-18-15)20-19-11-14-7-8-16(25-14)12-4-3-5-13(10-12)21(23)24/h1-11H,(H,20,22)
InChIKeyHVYWVAKWXDSCJC-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.01
Rot. Bonds5

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

N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 831247) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID831247
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC NameN-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1
InChIInChI=1S/C17H12N4O4/c22-17(15-6-1-2-9-18-15)20-19-11-14-7-8-16(25-14)12-4-3-5-13(10-12)21(23)24/h1-11H,(H,20,22)
InChIKeyHVYWVAKWXDSCJC-UHFFFAOYSA-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'}

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Related Compounds

N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 6891757
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890
5-nitro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 6299244
5-nitro-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 5200659
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-propoxybenzamide
CID 133169510
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351713
2-(4-chlorophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 7035809
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94837416

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide (CID 831247) is N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide is O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1.
What is the InChIKey of N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is HVYWVAKWXDSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-17(15-6-1-2-9-18-15)20-19-11-14-7-8-16(25-14)12-4-3-5-13(10-12)21(23)24/h1-11H,(H,20,22).
What are the key properties of N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-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-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 831247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).