5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide

C13H11FN4O2 — CID 104786337

IUPAC5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C13H11FN4O2/c14-10-5-9(6-16-7-10)13(19)17-11-3-1-8(2-4-11)12(15)18-20/h1-7,20H,(H2,15,18)(H,17,19)
InChIKeyVAGAHTUIGCQSIH-UHFFFAOYSA-N
MW274.26 g/mol
LogP1.57
Rot. Bonds3

About 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide

5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide (PubChem CID 104786337) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
PubChem CID104786337
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C13H11FN4O2/c14-10-5-9(6-16-7-10)13(19)17-11-3-1-8(2-4-11)12(15)18-20/h1-7,20H,(H2,15,18)(H,17,19)
InChIKeyVAGAHTUIGCQSIH-UHFFFAOYSA-N
XLogP1.57
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786390
5-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786338
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786385
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 107586259
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide (CID 104786337) is 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide is N/C(=N/O)c1ccc(NC(=O)c2cncc(F)c2)cc1.
What is the InChIKey of 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VAGAHTUIGCQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c14-10-5-9(6-16-7-10)13(19)17-11-3-1-8(2-4-11)12(15)18-20/h1-7,20H,(H2,15,18)(H,17,19).
What are the key properties of 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide?
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 274.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 104786337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).