N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C22H19N3O3 — CID 122584647

IUPACN-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)cc1
InChIInChI=1S/C22H19N3O3/c1-28-20-8-6-16(7-9-20)19-12-18-10-11-25(21(18)23-13-19)14-15-2-4-17(5-3-15)22(26)24-27/h2-13,27H,14H2,1H3,(H,24,26)
InChIKeyVQRBYVDLDMOBJT-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.88
Rot. Bonds5

About N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 122584647) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
PubChem CID122584647
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)cc1
InChIInChI=1S/C22H19N3O3/c1-28-20-8-6-16(7-9-20)19-12-18-10-11-25(21(18)23-13-19)14-15-2-4-17(5-3-15)22(26)24-27/h2-13,27H,14H2,1H3,(H,24,26)
InChIKeyVQRBYVDLDMOBJT-UHFFFAOYSA-N
XLogP3.88
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.88
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

N-hydroxy-4-[[5-(7-methyl-7-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 123702178
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915
N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266024
N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
CID 118437647
4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 118148289
4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 122600515
tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 122584777
4-[[5-[(3R,5S)-3,5-dimethyl-4-(sulfanylmethyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 129128693
N-hydroxy-4-[[5-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584619
N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
CID 45276554
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87337589

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 122584647) is N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is COc1ccc(-c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)cc1.
What is the InChIKey of N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is VQRBYVDLDMOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-20-8-6-16(7-9-20)19-12-18-10-11-25(21(18)23-13-19)14-15-2-4-17(5-3-15)22(26)24-27/h2-13,27H,14H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 122584647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).