4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide

C17H21N5O3 — CID 71732119

IUPAC4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide
SMILESCCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ncccn1
InChIInChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24)
InChIKeyNGUQTALSXMYZCZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.43
Rot. Bonds7

About 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide

4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide (PubChem CID 71732119) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide
PubChem CID71732119
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide
SMILESCCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ncccn1
InChIInChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24)
InChIKeyNGUQTALSXMYZCZ-UHFFFAOYSA-N
XLogP2.43
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
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'}

Analyze 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide (CID 71732119) is 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide is CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ncccn1.
What is the InChIKey of 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is NGUQTALSXMYZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24).
What are the key properties of 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide?
4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 343.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(pyrimidin-2-ylcarbamoyl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71732119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).