N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide

C15H13N3O2 — CID 118437647

IUPACN-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cn2ccc3cccnc32)cc1
InChIInChI=1S/C15H13N3O2/c19-15(17-20)13-5-3-11(4-6-13)10-18-9-7-12-2-1-8-16-14(12)18/h1-9,20H,10H2,(H,17,19)
InChIKeyARRPIZIQDJFPNI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.20
Rot. Bonds3

About N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide

N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide (PubChem CID 118437647) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
PubChem CID118437647
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cn2ccc3cccnc32)cc1
InChIInChI=1S/C15H13N3O2/c19-15(17-20)13-5-3-11(4-6-13)10-18-9-7-12-2-1-8-16-14(12)18/h1-9,20H,10H2,(H,17,19)
InChIKeyARRPIZIQDJFPNI-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584647
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 118148289
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-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
CID 87265832
4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 122600515
4-[[5-[(3R,5S)-3,5-dimethyl-4-(sulfanylmethyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 129128693
4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 123598561
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid
CID 25324840
tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 122584777

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide (CID 118437647) is N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide is O=C(NO)c1ccc(Cn2ccc3cccnc32)cc1.
What is the InChIKey of N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide?
The InChIKey is ARRPIZIQDJFPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(17-20)13-5-3-11(4-6-13)10-18-9-7-12-2-1-8-16-14(12)18/h1-9,20H,10H2,(H,17,19).
What are the key properties of N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide?
N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide has a molecular weight of 267.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide is sourced from PubChem (CID 118437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).