7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide

C16H24FN5O2 — CID 144623233

IUPAC7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide
SMILES[H]/N=C(\C=C/NC)N(CCCCCCC(=O)NO)c1ccc(F)cn1
InChIInChI=1S/C16H24FN5O2/c1-19-10-9-14(18)22(15-8-7-13(17)12-20-15)11-5-3-2-4-6-16(23)21-24/h7-10,12,18-19,24H,2-6,11H2,1H3,(H,21,23)/b10-9-,18-14+
InChIKeyQOYABPUMJYHNJK-TVGYOVFCSA-N
MW337.40 g/mol
LogP2.19
Rot. Bonds10

About 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide

7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide (PubChem CID 144623233) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide
PubChem CID144623233
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide
SMILES[H]/N=C(\C=C/NC)N(CCCCCCC(=O)NO)c1ccc(F)cn1
InChIInChI=1S/C16H24FN5O2/c1-19-10-9-14(18)22(15-8-7-13(17)12-20-15)11-5-3-2-4-6-16(23)21-24/h7-10,12,18-19,24H,2-6,11H2,1H3,(H,21,23)/b10-9-,18-14+
InChIKeyQOYABPUMJYHNJK-TVGYOVFCSA-N
XLogP2.19
TPSA101.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide
CID 137256645
[N-[7-(hydroxyamino)-7-oxoheptyl]-N-pyridin-2-ylcarbamimidoyl] methanimidothioate
CID 134474549
4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
CID 83835208
N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide
CID 118426677
N-hydroxy-7-[(5-phenyl-2-pyridinyl)-pyridin-3-ylamino]heptanamide
CID 90348251
1-(5-fluoro-2-pyridinyl)oct-7-en-1-one
CID 107008319
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylpyrazol-3-yl)amino]heptanoate
CID 90133993
2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
CID 158284635
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
4-[di(pyrimidin-2-yl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
CID 53339180

Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide (CID 144623233) is 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide is [H]/N=C(\C=C/NC)N(CCCCCCC(=O)NO)c1ccc(F)cn1.
What is the InChIKey of 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide?
The InChIKey is QOYABPUMJYHNJK-TVGYOVFCSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-19-10-9-14(18)22(15-8-7-13(17)12-20-15)11-5-3-2-4-6-16(23)21-24/h7-10,12,18-19,24H,2-6,11H2,1H3,(H,21,23)/b10-9-,18-14+.
What are the key properties of 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide?
7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide has a molecular weight of 337.40 g/mol, XLogP of 2.19, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]-N-hydroxyheptanamide is sourced from PubChem (CID 144623233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).