N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide

C19H14FN3O — CID 44507539

IUPACN-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2)c(F)c1)c1ccccn1
InChIInChI=1S/C19H14FN3O/c20-17-12-14(9-10-16(17)15-6-2-1-3-7-15)13-22-23-19(24)18-8-4-5-11-21-18/h1-13H,(H,23,24)/b22-13+
InChIKeyMYKRZQLBPQYIAA-LPYMAVHISA-N
MW319.34 g/mol
LogP3.65
Rot. Bonds4

About N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 44507539) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID44507539
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC NameN-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2)c(F)c1)c1ccccn1
InChIInChI=1S/C19H14FN3O/c20-17-12-14(9-10-16(17)15-6-2-1-3-7-15)13-22-23-19(24)18-8-4-5-11-21-18/h1-13H,(H,23,24)/b22-13+
InChIKeyMYKRZQLBPQYIAA-LPYMAVHISA-N
XLogP3.65
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.65
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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Related Compounds

1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 75036859
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
[(3-fluoro-4-phenylphenyl)methylideneamino]thiourea
CID 168534334
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5335096

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide (CID 44507539) is N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1ccc(-c2ccccc2)c(F)c1)c1ccccn1.
What is the InChIKey of N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is MYKRZQLBPQYIAA-LPYMAVHISA-N. The full InChI is InChI=1S/C19H14FN3O/c20-17-12-14(9-10-16(17)15-6-2-1-3-7-15)13-22-23-19(24)18-8-4-5-11-21-18/h1-13H,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 44507539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).