5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide

C14H13FN4O2 — CID 104639481

IUPAC5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H13FN4O2/c1-19(14(20)12-6-5-10(15)8-17-12)11-4-2-3-9(7-11)13(16)18-21/h2-8,21H,1H3,(H2,16,18)
InChIKeySRBAAILPFVNZHH-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.59
Rot. Bonds3

About 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide

5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 104639481) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID104639481
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H13FN4O2/c1-19(14(20)12-6-5-10(15)8-17-12)11-4-2-3-9(7-11)13(16)18-21/h2-8,21H,1H3,(H2,16,18)
InChIKeySRBAAILPFVNZHH-UHFFFAOYSA-N
XLogP1.59
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
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

3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 76982250
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-4-carboxamide
CID 77054805
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 115993911
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76932829
5-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-2-carboxamide
CID 76979547
ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate
CID 75454549
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,5-dimethylfuran-2-carboxamide
CID 76932906
3-bromo-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 76932721
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639471

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide (CID 104639481) is 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(F)cn1)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is SRBAAILPFVNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-19(14(20)12-6-5-10(15)8-17-12)11-4-2-3-9(7-11)13(16)18-21/h2-8,21H,1H3,(H2,16,18).
What are the key properties of 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide?
5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104639481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).