(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide

C23H32ClFN4O2 — CID 139495508

IUPAC(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCN[C@@H](c2ccc(Cl)cn2)C(C)C)C(=O)NO)cc(C)c1F
InChIInChI=1S/C23H32ClFN4O2/c1-14(2)22(19-9-8-17(24)13-27-19)26-10-6-5-7-20(23(30)29-31)28-18-11-15(3)21(25)16(4)12-18/h8-9,11-14,20,22,26,28,31H,5-7,10H2,1-4H3,(H,29,30)/t20-,22-/m1/s1
InChIKeyWRZDAHZXSIOMKK-IFMALSPDSA-N
MW450.99 g/mol
LogP4.93
Rot. Bonds11

About (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide

(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide (PubChem CID 139495508) has the molecular formula C23H32ClFN4O2 and a molecular weight of 450.99 g/mol. Its IUPAC name is (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
PubChem CID139495508
Molecular FormulaC23H32ClFN4O2
Molecular Weight450.99 g/mol
Exact Mass450.22
IUPAC Name(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCN[C@@H](c2ccc(Cl)cn2)C(C)C)C(=O)NO)cc(C)c1F
InChIInChI=1S/C23H32ClFN4O2/c1-14(2)22(19-9-8-17(24)13-27-19)26-10-6-5-7-20(23(30)29-31)28-18-11-15(3)21(25)16(4)12-18/h8-9,11-14,20,22,26,28,31H,5-7,10H2,1-4H3,(H,29,30)/t20-,22-/m1/s1
InChIKeyWRZDAHZXSIOMKK-IFMALSPDSA-N
XLogP4.93
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The IUPAC name of (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide (CID 139495508) is (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The canonical SMILES for (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide is Cc1cc(N[C@H](CCCCN[C@@H](c2ccc(Cl)cn2)C(C)C)C(=O)NO)cc(C)c1F.
What is the InChIKey of (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The InChIKey is WRZDAHZXSIOMKK-IFMALSPDSA-N. The full InChI is InChI=1S/C23H32ClFN4O2/c1-14(2)22(19-9-8-17(24)13-27-19)26-10-6-5-7-20(23(30)29-31)28-18-11-15(3)21(25)16(4)12-18/h8-9,11-14,20,22,26,28,31H,5-7,10H2,1-4H3,(H,29,30)/t20-,22-/m1/s1.
What are the key properties of (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide has a molecular weight of 450.99 g/mol, XLogP of 4.93, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide is sourced from PubChem (CID 139495508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).