4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

C15H15N3O3 — CID 71574948

IUPAC4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(17-10-7-11-5-8-16-9-6-11)12-1-3-13(4-2-12)15(20)18-21/h1-6,8-9,21H,7,10H2,(H,17,19)(H,18,20)
InChIKeyXJUUYALJVALNFT-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.17
Rot. Bonds5

About 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 71574948) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID71574948
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(17-10-7-11-5-8-16-9-6-11)12-1-3-13(4-2-12)15(20)18-21/h1-6,8-9,21H,7,10H2,(H,17,19)(H,18,20)
InChIKeyXJUUYALJVALNFT-UHFFFAOYSA-N
XLogP1.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
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 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide (CID 71574948) is 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is XJUUYALJVALNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-10-7-11-5-8-16-9-6-11)12-1-3-13(4-2-12)15(20)18-21/h1-6,8-9,21H,7,10H2,(H,17,19)(H,18,20).
What are the key properties of 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide?
4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 71574948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).