1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide

C20H21F2N3O4 — CID 15957088

IUPAC1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)N(C)O)cc12
InChIInChI=1S/C20H21F2N3O4/c1-24(27)20(26)18-8-16-14(12-29-6-5-28-2)11-25(19(16)9-23-18)10-13-3-4-15(21)7-17(13)22/h3-4,7-9,11,27H,5-6,10,12H2,1-2H3
InChIKeyTYQIXUHAVSMVRY-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.99
Rot. Bonds8

About 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 15957088) has the molecular formula C20H21F2N3O4 and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID15957088
Molecular FormulaC20H21F2N3O4
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)N(C)O)cc12
InChIInChI=1S/C20H21F2N3O4/c1-24(27)20(26)18-8-16-14(12-29-6-5-28-2)11-25(19(16)9-23-18)10-13-3-4-15(21)7-17(13)22/h3-4,7-9,11,27H,5-6,10,12H2,1-2H3
InChIKeyTYQIXUHAVSMVRY-UHFFFAOYSA-N
XLogP2.99
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 15957088) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)N(C)O)cc12.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is TYQIXUHAVSMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4/c1-24(27)20(26)18-8-16-14(12-29-6-5-28-2)11-25(19(16)9-23-18)10-13-3-4-15(21)7-17(13)22/h3-4,7-9,11,27H,5-6,10,12H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 15957088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).