1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

C16H12N4O2 — CID 44549519

IUPAC1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESN#Cc1cccc(Cn2ccc3cc(C(=O)NO)ncc32)c1
InChIInChI=1S/C16H12N4O2/c17-8-11-2-1-3-12(6-11)10-20-5-4-13-7-14(16(21)19-22)18-9-15(13)20/h1-7,9,22H,10H2,(H,19,21)
InChIKeyRAGGZQZBQYNXDV-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.08
Rot. Bonds3

About 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 44549519) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID44549519
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESN#Cc1cccc(Cn2ccc3cc(C(=O)NO)ncc32)c1
InChIInChI=1S/C16H12N4O2/c17-8-11-2-1-3-12(6-11)10-20-5-4-13-7-14(16(21)19-22)18-9-15(13)20/h1-7,9,22H,10H2,(H,19,21)
InChIKeyRAGGZQZBQYNXDV-UHFFFAOYSA-N
XLogP2.08
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.08
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-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266028
N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266102
3-[[6-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102913186
1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11623393
3-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546598
3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile
CID 24986519
3-[(3-cyanophenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65173055
1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918998
1-[(3-cyanophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902720
methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 44549659
2-[1-[(3-cyanophenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 62313331
N-hydroxy-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266323

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 44549519) is 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is N#Cc1cccc(Cn2ccc3cc(C(=O)NO)ncc32)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is RAGGZQZBQYNXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-8-11-2-1-3-12(6-11)10-20-5-4-13-7-14(16(21)19-22)18-9-15(13)20/h1-7,9,22H,10H2,(H,19,21).
What are the key properties of 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 44549519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).