(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

C71H103ClFN9O6 — CID 165088313

IUPAC(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
SMILESC.Cc1cc(C[C@H](CCCCN[C@H](C)c2ccc(Cl)cn2)C(=O)NO)cc(C)c1C.Cc1cc(C[C@H](CCCCN[C@H](C)c2ccc(F)cn2)C(=O)NO)cc(C)c1C.Cc1ccc([C@@H](C)NCCCC[C@@H](Cc2cc(C)c(C)c(C)c2)C(=O)NO)nc1
InChIInChI=1S/C24H35N3O2.C23H32ClN3O2.C23H32FN3O2.CH4/c1-16-9-10-23(26-15-16)20(5)25-11-7-6-8-22(24(28)27-29)14-21-12-17(2)19(4)18(3)13-21;2*1-15-11-19(12-16(2)17(15)3)13-20(23(28)27-29)7-5-6-10-25-18(4)22-9-8-21(24)14-26-22;/h9-10,12-13,15,20,22,25,29H,6-8,11,14H2,1-5H3,(H,27,28);2*8-9,11-12,14,18,20,25,29H,5-7,10,13H2,1-4H3,(H,27,28);1H4/t20-,22+;2*18-,20+;/m111./s1
InChIKeyWGQVDXQFVCNNLG-ZFPVAUKISA-N
MW1233.11 g/mol
LogP14.31
Rot. Bonds30

About (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

(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 (PubChem CID 165088313) has the molecular formula C71H103ClFN9O6 and a molecular weight of 1233.11 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165088313
Molecular FormulaC71H103ClFN9O6
Molecular Weight1233.11 g/mol
Exact Mass1231.77
IUPAC Name(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
SMILESC.Cc1cc(C[C@H](CCCCN[C@H](C)c2ccc(Cl)cn2)C(=O)NO)cc(C)c1C.Cc1cc(C[C@H](CCCCN[C@H](C)c2ccc(F)cn2)C(=O)NO)cc(C)c1C.Cc1ccc([C@@H](C)NCCCC[C@@H](Cc2cc(C)c(C)c(C)c2)C(=O)NO)nc1
InChIInChI=1S/C24H35N3O2.C23H32ClN3O2.C23H32FN3O2.CH4/c1-16-9-10-23(26-15-16)20(5)25-11-7-6-8-22(24(28)27-29)14-21-12-17(2)19(4)18(3)13-21;2*1-15-11-19(12-16(2)17(15)3)13-20(23(28)27-29)7-5-6-10-25-18(4)22-9-8-21(24)14-26-22;/h9-10,12-13,15,20,22,25,29H,6-8,11,14H2,1-5H3,(H,27,28);2*8-9,11-12,14,18,20,25,29H,5-7,10,13H2,1-4H3,(H,27,28);1H4/t20-,22+;2*18-,20+;/m111./s1
InChIKeyWGQVDXQFVCNNLG-ZFPVAUKISA-N
XLogP14.31
TPSA222.75 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001233.11
LogP ≤ 514.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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'}

Analyze (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 with MolForge

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Related Compounds

(2S)-6-[2-(5-fluoro-2-pyridinyl)propan-2-ylamino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
CID 165004511
(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
CID 139495508
(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
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
(2S)-6-(dibenzylamino)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-N-hydroxyhexanamide
CID 157291455

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.Cc1cc(C[C@H](CCCCN[C@H](C)c2ccc(Cl)cn2)C(=O)NO)cc(C)c1C.Cc1cc(C[C@H](CCCCN[C@H](C)c2ccc(F)cn2)C(=O)NO)cc(C)c1C.Cc1ccc([C@@H](C)NCCCC[C@@H](Cc2cc(C)c(C)c(C)c2)C(=O)NO)nc1.
What is the InChIKey of (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?
The InChIKey is WGQVDXQFVCNNLG-ZFPVAUKISA-N. The full InChI is InChI=1S/C24H35N3O2.C23H32ClN3O2.C23H32FN3O2.CH4/c1-16-9-10-23(26-15-16)20(5)25-11-7-6-8-22(24(28)27-29)14-21-12-17(2)19(4)18(3)13-21;2*1-15-11-19(12-16(2)17(15)3)13-20(23(28)27-29)7-5-6-10-25-18(4)22-9-8-21(24)14-26-22;/h9-10,12-13,15,20,22,25,29H,6-8,11,14H2,1-5H3,(H,27,28);2*8-9,11-12,14,18,20,25,29H,5-7,10,13H2,1-4H3,(H,27,28);1H4/t20-,22+;2*18-,20+;/m111./s1.
What are the key properties of (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?
(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 has a molecular weight of 1233.11 g/mol, XLogP of 14.31, 30 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165088313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).