1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C20H22F2N4O4 — CID 11575362

IUPAC1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2c(cn1)c(CNCCOCCO)cn2Cc1ccc(F)cc1F
InChIInChI=1S/C20H22F2N4O4/c21-15-2-1-13(17(22)7-15)11-26-12-14(9-23-3-5-30-6-4-27)16-10-24-18(8-19(16)26)20(28)25-29/h1-2,7-8,10,12,23,27,29H,3-6,9,11H2,(H,25,28)
InChIKeyLJHPJZAPBSHVGF-UHFFFAOYSA-N
MW420.42 g/mol
LogP1.58
Rot. Bonds10

About 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 11575362) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID11575362
Molecular FormulaC20H22F2N4O4
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2c(cn1)c(CNCCOCCO)cn2Cc1ccc(F)cc1F
InChIInChI=1S/C20H22F2N4O4/c21-15-2-1-13(17(22)7-15)11-26-12-14(9-23-3-5-30-6-4-27)16-10-24-18(8-19(16)26)20(28)25-29/h1-2,7-8,10,12,23,27,29H,3-6,9,11H2,(H,25,28)
InChIKeyLJHPJZAPBSHVGF-UHFFFAOYSA-N
XLogP1.58
TPSA108.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

Analyze 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957057
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11690985
1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 59855848
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704823
1-[(2,4-difluorophenyl)methyl]-N-methoxy-3-(methylaminomethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 86623139
3-[[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11568081
3-[(2,4-difluorophenoxy)methyl]-1-ethyl-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 10405381
3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704907
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide
CID 87747617
1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol
CID 143126134
1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;methyl 1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylate
CID 161165591

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 11575362) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is O=C(NO)c1cc2c(cn1)c(CNCCOCCO)cn2Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is LJHPJZAPBSHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c21-15-2-1-13(17(22)7-15)11-26-12-14(9-23-3-5-30-6-4-27)16-10-24-18(8-19(16)26)20(28)25-29/h1-2,7-8,10,12,23,27,29H,3-6,9,11H2,(H,25,28).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 1.58, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 11575362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).