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

C20H27N5O4 — CID 10111662

IUPAC2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C20H27N5O4/c21-18(27)14-9-10-22-16(11-14)19-23-20(29-25-19)15(12-17(26)24-28)8-4-7-13-5-2-1-3-6-13/h9-11,13,15,28H,1-8,12H2,(H2,21,27)(H,24,26)/t15-/m1/s1
InChIKeyNDJHOPDFZZMAGZ-OAHLLOKOSA-N
MW401.47 g/mol
LogP2.96
Rot. Bonds9

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

2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide (PubChem CID 10111662) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide
PubChem CID10111662
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)c1
InChIInChI=1S/C20H27N5O4/c21-18(27)14-9-10-22-16(11-14)19-23-20(29-25-19)15(12-17(26)24-28)8-4-7-13-5-2-1-3-6-13/h9-11,13,15,28H,1-8,12H2,(H2,21,27)(H,24,26)/t15-/m1/s1
InChIKeyNDJHOPDFZZMAGZ-OAHLLOKOSA-N
XLogP2.96
TPSA144.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.96
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'}

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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]pyridine-4-carboxamide?
The IUPAC name of 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide (CID 10111662) is 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-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]pyridine-4-carboxamide?
The canonical SMILES for 2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide is NC(=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]pyridine-4-carboxamide?
The InChIKey is NDJHOPDFZZMAGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N5O4/c21-18(27)14-9-10-22-16(11-14)19-23-20(29-25-19)15(12-17(26)24-28)8-4-7-13-5-2-1-3-6-13/h9-11,13,15,28H,1-8,12H2,(H2,21,27)(H,24,26)/t15-/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]pyridine-4-carboxamide?
2-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.96, 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]pyridine-4-carboxamide is sourced from PubChem (CID 10111662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).