N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide

C13H10FN3O — CID 6861407

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
InChIKeySVYYQPLGBPBEQO-CXUHLZMHSA-N
MW243.24 g/mol
LogP1.98
Rot. Bonds3

About N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6861407) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6861407
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
InChIKeySVYYQPLGBPBEQO-CXUHLZMHSA-N
XLogP1.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide (CID 6861407) is N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is SVYYQPLGBPBEQO-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 243.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6861407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).