[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite

C13H12FN3O2 — CID 142179435

IUPAC[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
SMILESCNc1ncccc1C(=O)Nc1ccc(OF)cc1
InChIInChI=1S/C13H12FN3O2/c1-15-12-11(3-2-8-16-12)13(18)17-9-4-6-10(19-14)7-5-9/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyPVCFYHABMWTSRG-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.64
Rot. Bonds4

About [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite

[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite (PubChem CID 142179435) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite.

Molecular Properties

Compound Name[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
PubChem CID142179435
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
SMILESCNc1ncccc1C(=O)Nc1ccc(OF)cc1
InChIInChI=1S/C13H12FN3O2/c1-15-12-11(3-2-8-16-12)13(18)17-9-4-6-10(19-14)7-5-9/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyPVCFYHABMWTSRG-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62913801
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
N-(4-methoxyphenyl)-2-[7-[[3-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]heptyl]pyridine-3-carboxamide
CID 158018485
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite?
The IUPAC name of [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite (CID 142179435) is [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite.
What is the SMILES notation for [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite?
The canonical SMILES for [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite is CNc1ncccc1C(=O)Nc1ccc(OF)cc1.
What is the InChIKey of [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite?
The InChIKey is PVCFYHABMWTSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-15-12-11(3-2-8-16-12)13(18)17-9-4-6-10(19-14)7-5-9/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite?
[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite has a molecular weight of 261.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite is sourced from PubChem (CID 142179435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).