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

C18H14ClN3O2 — CID 6863029

IUPACN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1Cl
InChIInChI=1S/C18H14ClN3O2/c1-12-2-3-14(10-16(12)19)17-5-4-15(24-17)11-21-22-18(23)13-6-8-20-9-7-13/h2-11H,1H3,(H,22,23)/b21-11+
InChIKeyCZVZFASZVWQIEG-SRZZPIQSSA-N
MW339.78 g/mol
LogP4.07
Rot. Bonds4

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

N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6863029) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID6863029
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1Cl
InChIInChI=1S/C18H14ClN3O2/c1-12-2-3-14(10-16(12)19)17-5-4-15(24-17)11-21-22-18(23)13-6-8-20-9-7-13/h2-11H,1H3,(H,22,23)/b21-11+
InChIKeyCZVZFASZVWQIEG-SRZZPIQSSA-N
XLogP4.07
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.07
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-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide (CID 6863029) is N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1Cl.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is CZVZFASZVWQIEG-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-12-2-3-14(10-16(12)19)17-5-4-15(24-17)11-21-22-18(23)13-6-8-20-9-7-13/h2-11H,1H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 4.07, 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-chloro-4-methylphenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6863029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).