4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide

C17H18FN5O2 — CID 137256645

IUPAC4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide
SMILES[H]/N=C(\C=C/NC)N(Cc1ccc(C(=O)NO)cc1)c1ccc(F)cn1
InChIInChI=1S/C17H18FN5O2/c1-20-9-8-15(19)23(16-7-6-14(18)10-21-16)11-12-2-4-13(5-3-12)17(24)22-25/h2-10,19-20,25H,11H2,1H3,(H,22,24)/b9-8-,19-15+
InChIKeySOHHRMYKQMFEAC-MSXUIQQGSA-N
MW343.36 g/mol
LogP2.06
Rot. Bonds6

About 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide

4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 137256645) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide
PubChem CID137256645
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide
SMILES[H]/N=C(\C=C/NC)N(Cc1ccc(C(=O)NO)cc1)c1ccc(F)cn1
InChIInChI=1S/C17H18FN5O2/c1-20-9-8-15(19)23(16-7-6-14(18)10-21-16)11-12-2-4-13(5-3-12)17(24)22-25/h2-10,19-20,25H,11H2,1H3,(H,22,24)/b9-8-,19-15+
InChIKeySOHHRMYKQMFEAC-MSXUIQQGSA-N
XLogP2.06
TPSA101.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide (CID 137256645) is 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide is [H]/N=C(\C=C/NC)N(Cc1ccc(C(=O)NO)cc1)c1ccc(F)cn1.
What is the InChIKey of 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is SOHHRMYKQMFEAC-MSXUIQQGSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-20-9-8-15(19)23(16-7-6-14(18)10-21-16)11-12-2-4-13(5-3-12)17(24)22-25/h2-10,19-20,25H,11H2,1H3,(H,22,24)/b9-8-,19-15+.
What are the key properties of 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide?
4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 343.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-pyridinyl)-[(Z)-3-(methylamino)prop-2-enimidoyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 137256645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).