3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide

C14H10F2N4O2 — CID 87747601

IUPAC3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NO)c1nccc2ncn(Cc3ccc(F)cc3F)c12
InChIInChI=1S/C14H10F2N4O2/c15-9-2-1-8(10(16)5-9)6-20-7-18-11-3-4-17-12(13(11)20)14(21)19-22/h1-5,7,22H,6H2,(H,19,21)
InChIKeyORBPVHQJAALNFG-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.88
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide

3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 87747601) has the molecular formula C14H10F2N4O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID87747601
Molecular FormulaC14H10F2N4O2
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NO)c1nccc2ncn(Cc3ccc(F)cc3F)c12
InChIInChI=1S/C14H10F2N4O2/c15-9-2-1-8(10(16)5-9)6-20-7-18-11-3-4-17-12(13(11)20)14(21)19-22/h1-5,7,22H,6H2,(H,19,21)
InChIKeyORBPVHQJAALNFG-UHFFFAOYSA-N
XLogP1.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-[(2,4-difluorophenyl)methyl]quinazolin-4-one
CID 62197646
4-[(2-aminopurin-9-yl)methyl]-3-fluoro-N-hydroxybenzamide
CID 177371890
3-[(2,5-difluorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115933385
2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413145
5-[(2,4-difluorophenyl)methoxymethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 44539902
4-chloro-3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridine
CID 14199155
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 105085102
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 10316516
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 11575362
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide
CID 87747617

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide (CID 87747601) is 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide is O=C(NO)c1nccc2ncn(Cc3ccc(F)cc3F)c12.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is ORBPVHQJAALNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2/c15-9-2-1-8(10(16)5-9)6-20-7-18-11-3-4-17-12(13(11)20)14(21)19-22/h1-5,7,22H,6H2,(H,19,21).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide?
3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 304.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-N-hydroxyimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 87747601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).