2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide

C17H25N3O3 — CID 123809890

IUPAC2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide
SMILESCCCC(NC(=O)CC1CCCC1)c1cc(C(=O)NO)ccn1
InChIInChI=1S/C17H25N3O3/c1-2-5-14(19-16(21)10-12-6-3-4-7-12)15-11-13(8-9-18-15)17(22)20-23/h8-9,11-12,14,23H,2-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCGNCXAMAJAMJQM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.74
Rot. Bonds7

About 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide

2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide (PubChem CID 123809890) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide
PubChem CID123809890
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide
SMILESCCCC(NC(=O)CC1CCCC1)c1cc(C(=O)NO)ccn1
InChIInChI=1S/C17H25N3O3/c1-2-5-14(19-16(21)10-12-6-3-4-7-12)15-11-13(8-9-18-15)17(22)20-23/h8-9,11-12,14,23H,2-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCGNCXAMAJAMJQM-UHFFFAOYSA-N
XLogP2.74
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.74
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 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide?
The IUPAC name of 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide (CID 123809890) is 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide.
What is the SMILES notation for 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide?
The canonical SMILES for 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide is CCCC(NC(=O)CC1CCCC1)c1cc(C(=O)NO)ccn1.
What is the InChIKey of 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide?
The InChIKey is CGNCXAMAJAMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-5-14(19-16(21)10-12-6-3-4-7-12)15-11-13(8-9-18-15)17(22)20-23/h8-9,11-12,14,23H,2-7,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide?
2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 123809890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).