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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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).