N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide

C17H12ClN3O2 — CID 6891757

IUPACN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1
InChIInChI=1S/C17H12ClN3O2/c18-13-6-4-12(5-7-13)16-9-8-14(23-16)11-20-21-17(22)15-3-1-2-10-19-15/h1-11H,(H,21,22)/b20-11+
InChIKeyOXAVINTWTQXGLX-RGVLZGJSSA-N
MW325.76 g/mol
LogP3.76
Rot. Bonds4

About N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide

N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 6891757) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID6891757
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC NameN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1
InChIInChI=1S/C17H12ClN3O2/c18-13-6-4-12(5-7-13)16-9-8-14(23-16)11-20-21-17(22)15-3-1-2-10-19-15/h1-11H,(H,21,22)/b20-11+
InChIKeyOXAVINTWTQXGLX-RGVLZGJSSA-N
XLogP3.76
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 831247
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704
5-tert-butyl-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5499090
5-tert-butyl-N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 1270564
3-methyl-4-[5-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 40989051
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 3398887
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-2-carboxamide
CID 4669124

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide (CID 6891757) is N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1.
What is the InChIKey of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is OXAVINTWTQXGLX-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-6-4-12(5-7-13)16-9-8-14(23-16)11-20-21-17(22)15-3-1-2-10-19-15/h1-11H,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide?
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6891757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).