5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C20H17FN4O3 — CID 89184688

IUPAC5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(/C(=N/O)c2ccc(NC(=O)c3cncc(F)c3C)nc2)cc1
InChIInChI=1S/C20H17FN4O3/c1-12-16(10-22-11-17(12)21)20(26)24-18-8-5-14(9-23-18)19(25-27)13-3-6-15(28-2)7-4-13/h3-11,27H,1-2H3,(H,23,24,26)/b25-19-
InChIKeyXTEJYSLJKKNVOG-PLRJNAJWSA-N
MW380.38 g/mol
LogP3.41
Rot. Bonds5

About 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 89184688) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID89184688
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(/C(=N/O)c2ccc(NC(=O)c3cncc(F)c3C)nc2)cc1
InChIInChI=1S/C20H17FN4O3/c1-12-16(10-22-11-17(12)21)20(26)24-18-8-5-14(9-23-18)19(25-27)13-3-6-15(28-2)7-4-13/h3-11,27H,1-2H3,(H,23,24,26)/b25-19-
InChIKeyXTEJYSLJKKNVOG-PLRJNAJWSA-N
XLogP3.41
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 70979506
N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70979502
N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70979466
N-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 130319195
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978582
N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978178
5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70978639
6-[(2-hydroxy-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317558
N-(5-amino-2-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 102881864
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 89184688) is 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is COc1ccc(/C(=N/O)c2ccc(NC(=O)c3cncc(F)c3C)nc2)cc1.
What is the InChIKey of 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is XTEJYSLJKKNVOG-PLRJNAJWSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12-16(10-22-11-17(12)21)20(26)24-18-8-5-14(9-23-18)19(25-27)13-3-6-15(28-2)7-4-13/h3-11,27H,1-2H3,(H,23,24,26)/b25-19-.
What are the key properties of 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 89184688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).