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

C21H29N5O4 — CID 10180091

IUPAC2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C21H29N5O4/c1-22-20(28)15-10-11-23-17(12-15)19-24-21(30-26-19)16(13-18(27)25-29)9-5-8-14-6-3-2-4-7-14/h10-12,14,16,29H,2-9,13H2,1H3,(H,22,28)(H,25,27)/t16-/m1/s1
InChIKeyGXFOGQOZDTZTCB-MRXNPFEDSA-N
MW415.49 g/mol
LogP3.22
Rot. Bonds9

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

2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide (PubChem CID 10180091) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide
PubChem CID10180091
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C21H29N5O4/c1-22-20(28)15-10-11-23-17(12-15)19-24-21(30-26-19)16(13-18(27)25-29)9-5-8-14-6-3-2-4-7-14/h10-12,14,16,29H,2-9,13H2,1H3,(H,22,28)(H,25,27)/t16-/m1/s1
InChIKeyGXFOGQOZDTZTCB-MRXNPFEDSA-N
XLogP3.22
TPSA130.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.22
H-Bond Donors ≤ 53
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-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-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-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide (CID 10180091) is 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide is CNC(=O)c1ccnc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1.
What is the InChIKey of 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide?
The InChIKey is GXFOGQOZDTZTCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-22-20(28)15-10-11-23-17(12-15)19-24-21(30-26-19)16(13-18(27)25-29)9-5-8-14-6-3-2-4-7-14/h10-12,14,16,29H,2-9,13H2,1H3,(H,22,28)(H,25,27)/t16-/m1/s1.
What are the key properties of 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide?
2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 10180091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).