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

C16H21N3O2 — CID 11623393

IUPAC1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2ccn(CCC3CCCCC3)c2cn1
InChIInChI=1S/C16H21N3O2/c20-16(18-21)14-10-13-7-9-19(15(13)11-17-14)8-6-12-4-2-1-3-5-12/h7,9-12,21H,1-6,8H2,(H,18,20)
InChIKeyRJHLVPOAKUCKFC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds4

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

1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11623393) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11623393
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2ccn(CCC3CCCCC3)c2cn1
InChIInChI=1S/C16H21N3O2/c20-16(18-21)14-10-13-7-9-19(15(13)11-17-14)8-6-12-4-2-1-3-5-12/h7,9-12,21H,1-6,8H2,(H,18,20)
InChIKeyRJHLVPOAKUCKFC-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 11623393) is 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is O=C(NO)c1cc2ccn(CCC3CCCCC3)c2cn1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is RJHLVPOAKUCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(18-21)14-10-13-7-9-19(15(13)11-17-14)8-6-12-4-2-1-3-5-12/h7,9-12,21H,1-6,8H2,(H,18,20).
What are the key properties of 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11623393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).