N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide

C16H15N3O3 — CID 87266024

IUPACN-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2ccc3ncc(C(=O)NO)cc32)cc1
InChIInChI=1S/C16H15N3O3/c1-22-13-4-2-11(3-5-13)10-19-7-6-14-15(19)8-12(9-17-14)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyBLYAHEGNNUSLIG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds4

About N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide

N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 87266024) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID87266024
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2ccc3ncc(C(=O)NO)cc32)cc1
InChIInChI=1S/C16H15N3O3/c1-22-13-4-2-11(3-5-13)10-19-7-6-14-15(19)8-12(9-17-14)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyBLYAHEGNNUSLIG-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
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

1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266104
N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584647
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
3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87265978
N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915
tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118148433
[4-[[6-(hydroxycarbamoyl)indol-1-yl]methyl]phenyl] cyanate
CID 156547425
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266102
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide (CID 87266024) is N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide is COc1ccc(Cn2ccc3ncc(C(=O)NO)cc32)cc1.
What is the InChIKey of N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is BLYAHEGNNUSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-13-4-2-11(3-5-13)10-19-7-6-14-15(19)8-12(9-17-14)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide?
N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 87266024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).