(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide

C24H34FN3O2 — CID 165004511

IUPAC(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
SMILESCc1cc(C[C@H](CCCCNC(C)(C)c2ccc(F)cn2)C(=O)NO)cc(C)c1C
InChIInChI=1S/C24H34FN3O2/c1-16-12-19(13-17(2)18(16)3)14-20(23(29)28-30)8-6-7-11-27-24(4,5)22-10-9-21(25)15-26-22/h9-10,12-13,15,20,27,30H,6-8,11,14H2,1-5H3,(H,28,29)/t20-/m0/s1
InChIKeyYCYZHATXBJQTKJ-FQEVSTJZSA-N
MW415.55 g/mol
LogP4.51
Rot. Bonds10

About (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide

(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide (PubChem CID 165004511) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
PubChem CID165004511
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC Name(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
SMILESCc1cc(C[C@H](CCCCNC(C)(C)c2ccc(F)cn2)C(=O)NO)cc(C)c1C
InChIInChI=1S/C24H34FN3O2/c1-16-12-19(13-17(2)18(16)3)14-20(23(29)28-30)8-6-7-11-27-24(4,5)22-10-9-21(25)15-26-22/h9-10,12-13,15,20,27,30H,6-8,11,14H2,1-5H3,(H,28,29)/t20-/m0/s1
InChIKeyYCYZHATXBJQTKJ-FQEVSTJZSA-N
XLogP4.51
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-[[(1R)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide;(2S)-6-[[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide;(2S)-N-hydroxy-6-[[(1R)-1-(5-methyl-2-pyridinyl)ethyl]amino]-2-[(3,4,5-trimethylphenyl)methyl]hexanamide;methane
CID 165088313
(2S)-2-[(3,5-dichloro-4-fluorophenyl)methyl]-6-[(5-fluoro-2-pyridinyl)methyl-methylamino]-N-hydroxyhexanamide
CID 139495425
(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
CID 165004516
(2S)-6-(dibenzylamino)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-N-hydroxyhexanamide
CID 157291455
2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
CID 83119646
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide
CID 115938831
2-[2-(4-fluorophenyl)ethyl]-N-hydroxyhexanamide;methanol
CID 143744124
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
The IUPAC name of (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide (CID 165004511) is (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide.
What is the SMILES notation for (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
The canonical SMILES for (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide is Cc1cc(C[C@H](CCCCNC(C)(C)c2ccc(F)cn2)C(=O)NO)cc(C)c1C.
What is the InChIKey of (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
The InChIKey is YCYZHATXBJQTKJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-16-12-19(13-17(2)18(16)3)14-20(23(29)28-30)8-6-7-11-27-24(4,5)22-10-9-21(25)15-26-22/h9-10,12-13,15,20,27,30H,6-8,11,14H2,1-5H3,(H,28,29)/t20-/m0/s1.
What are the key properties of (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide has a molecular weight of 415.55 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide is sourced from PubChem (CID 165004511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).