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

C17H11ClN4O4 — CID 5497492

IUPACN-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccncc1
InChIInChI=1S/C17H11ClN4O4/c18-14-3-1-12(9-15(14)22(24)25)16-4-2-13(26-16)10-20-21-17(23)11-5-7-19-8-6-11/h1-10H,(H,21,23)/b20-10-
InChIKeyFENQCTRCPGFYTN-JMIUGGIZSA-N
MW370.75 g/mol
LogP3.67
Rot. Bonds5

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

N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 5497492) has the molecular formula C17H11ClN4O4 and a molecular weight of 370.75 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID5497492
Molecular FormulaC17H11ClN4O4
Molecular Weight370.75 g/mol
Exact Mass370.05
IUPAC NameN-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccncc1
InChIInChI=1S/C17H11ClN4O4/c18-14-3-1-12(9-15(14)22(24)25)16-4-2-13(26-16)10-20-21-17(23)11-5-7-19-8-6-11/h1-10H,(H,21,23)/b20-10-
InChIKeyFENQCTRCPGFYTN-JMIUGGIZSA-N
XLogP3.67
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.75
LogP ≤ 53.67
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-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
4-amino-N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 3097054
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 616953
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657729
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
4-acetamido-N-[(Z)-[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6309382
4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5235134
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 1041488
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143767
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
methyl 2-chloro-4-[5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5430133

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide (CID 5497492) is N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccncc1.
What is the InChIKey of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is FENQCTRCPGFYTN-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H11ClN4O4/c18-14-3-1-12(9-15(14)22(24)25)16-4-2-13(26-16)10-20-21-17(23)11-5-7-19-8-6-11/h1-10H,(H,21,23)/b20-10-.
What are the key properties of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 370.75 g/mol, XLogP of 3.67, 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-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5497492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).