N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide

C17H11Cl2N3O2 — CID 6882752

IUPACN-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccncc1
InChIInChI=1S/C17H11Cl2N3O2/c18-14-3-1-12(9-15(14)19)16-4-2-13(24-16)10-21-22-17(23)11-5-7-20-8-6-11/h1-10H,(H,22,23)/b21-10+
InChIKeyZRPXEOLZXQHTLS-UFFVCSGVSA-N
MW360.20 g/mol
LogP4.41
Rot. Bonds4

About N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6882752) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID6882752
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC NameN-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccncc1
InChIInChI=1S/C17H11Cl2N3O2/c18-14-3-1-12(9-15(14)19)16-4-2-13(24-16)10-21-22-17(23)11-5-7-20-8-6-11/h1-10H,(H,22,23)/b21-10+
InChIKeyZRPXEOLZXQHTLS-UFFVCSGVSA-N
XLogP4.41
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide (CID 6882752) is N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccncc1.
What is the InChIKey of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is ZRPXEOLZXQHTLS-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c18-14-3-1-12(9-15(14)19)16-4-2-13(24-16)10-21-22-17(23)11-5-7-20-8-6-11/h1-10H,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 360.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6882752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).