N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

C15H13FN4O2 — CID 126191968

IUPACN'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C15H13FN4O2/c16-13-4-2-1-3-12(13)10-19-20-15(22)14(21)18-9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,21)(H,20,22)/b19-10-
InChIKeyOYSIVQAHNKZOCP-GRSHGNNSSA-N
MW300.29 g/mol
LogP0.99
Rot. Bonds4

About N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 126191968) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID126191968
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C15H13FN4O2/c16-13-4-2-1-3-12(13)10-19-20-15(22)14(21)18-9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,21)(H,20,22)/b19-10-
InChIKeyOYSIVQAHNKZOCP-GRSHGNNSSA-N
XLogP0.99
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 137122638
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 2248791
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
N'-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94836720
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 84867392
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94846416
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903011

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (CID 126191968) is N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)N/N=C\c1ccccc1F.
What is the InChIKey of N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is OYSIVQAHNKZOCP-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-13-4-2-1-3-12(13)10-19-20-15(22)14(21)18-9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,21)(H,20,22)/b19-10-.
What are the key properties of N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 300.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 126191968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).