2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide

C22H31N5O4 — CID 135754561

IUPAC2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(-c2noc([C@@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C22H31N5O4/c1-27(2)22(29)17-11-12-23-18(13-17)20-24-21(31-26-20)16(14-19(28)25-30)10-6-9-15-7-4-3-5-8-15/h11-13,15-16,30H,3-10,14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyVUBHKYSJVINZSX-INIZCTEOSA-N
MW429.52 g/mol
LogP3.56
Rot. Bonds9

About 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide

2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 135754561) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide
PubChem CID135754561
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(-c2noc([C@@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C22H31N5O4/c1-27(2)22(29)17-11-12-23-18(13-17)20-24-21(31-26-20)16(14-19(28)25-30)10-6-9-15-7-4-3-5-8-15/h11-13,15-16,30H,3-10,14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyVUBHKYSJVINZSX-INIZCTEOSA-N
XLogP3.56
TPSA121.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide 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 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide (CID 135754561) is 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide is CN(C)C(=O)c1ccnc(-c2noc([C@@H](CCCC3CCCCC3)CC(=O)NO)n2)c1.
What is the InChIKey of 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is VUBHKYSJVINZSX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-27(2)22(29)17-11-12-23-18(13-17)20-24-21(31-26-20)16(14-19(28)25-30)10-6-9-15-7-4-3-5-8-15/h11-13,15-16,30H,3-10,14H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide?
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 135754561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).