3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide

C14H12FN3O2 — CID 77054769

IUPAC3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
SMILESCC(=NO)c1cccc(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C14H12FN3O2/c1-9(18-20)10-3-2-4-11(7-10)17-14(19)12-5-6-16-8-13(12)15/h2-8,20H,1H3,(H,17,19)
InChIKeyFMBDYJACDLUJEY-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.67
Rot. Bonds3

About 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide (PubChem CID 77054769) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
PubChem CID77054769
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
SMILESCC(=NO)c1cccc(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C14H12FN3O2/c1-9(18-20)10-3-2-4-11(7-10)17-14(19)12-5-6-16-8-13(12)15/h2-8,20H,1H3,(H,17,19)
InChIKeyFMBDYJACDLUJEY-UHFFFAOYSA-N
XLogP2.67
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107953598
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
CID 64955247
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide
CID 103511119
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265
N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
CID 137005773

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide (CID 77054769) is 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide is CC(=NO)c1cccc(NC(=O)c2ccncc2F)c1.
What is the InChIKey of 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is FMBDYJACDLUJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-9(18-20)10-3-2-4-11(7-10)17-14(19)12-5-6-16-8-13(12)15/h2-8,20H,1H3,(H,17,19).
What are the key properties of 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 77054769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).