1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide

C18H17F2N3O3 — CID 87747617

IUPAC1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCOCc1cn(Cc2ccc(F)cc2F)c2ccc(C(=O)NO)nc12
InChIInChI=1S/C18H17F2N3O3/c1-2-26-10-12-9-23(8-11-3-4-13(19)7-14(11)20)16-6-5-15(18(24)22-25)21-17(12)16/h3-7,9,25H,2,8,10H2,1H3,(H,22,24)
InChIKeyLAWFEUZCKKHKIH-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.02
Rot. Bonds6

About 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 87747617) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID87747617
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCOCc1cn(Cc2ccc(F)cc2F)c2ccc(C(=O)NO)nc12
InChIInChI=1S/C18H17F2N3O3/c1-2-26-10-12-9-23(8-11-3-4-13(19)7-14(11)20)16-6-5-15(18(24)22-25)21-17(12)16/h3-7,9,25H,2,8,10H2,1H3,(H,22,24)
InChIKeyLAWFEUZCKKHKIH-UHFFFAOYSA-N
XLogP3.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.02
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 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide (CID 87747617) is 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide is CCOCc1cn(Cc2ccc(F)cc2F)c2ccc(C(=O)NO)nc12.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is LAWFEUZCKKHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-2-26-10-12-9-23(8-11-3-4-13(19)7-14(11)20)16-6-5-15(18(24)22-25)21-17(12)16/h3-7,9,25H,2,8,10H2,1H3,(H,22,24).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 87747617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).