N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide

C18H27FN4O5 — CID 142686781

IUPACN-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ncc(F)cc1O)C(C)C
InChIInChI=1S/C18H27FN4O5/c1-4-5-6-12(9-23(28)10-24)16(26)15(11(2)3)21-18(27)22-17-14(25)7-13(19)8-20-17/h7-8,10-12,15,25,28H,4-6,9H2,1-3H3,(H2,20,21,22,27)/t12-,15+/m1/s1
InChIKeyAHSDDOQGJZSMMY-DOMZBBRYSA-N
MW398.44 g/mol
LogP2.30
Rot. Bonds11

About N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide

N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (PubChem CID 142686781) has the molecular formula C18H27FN4O5 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
PubChem CID142686781
Molecular FormulaC18H27FN4O5
Molecular Weight398.44 g/mol
Exact Mass398.20
IUPAC NameN-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ncc(F)cc1O)C(C)C
InChIInChI=1S/C18H27FN4O5/c1-4-5-6-12(9-23(28)10-24)16(26)15(11(2)3)21-18(27)22-17-14(25)7-13(19)8-20-17/h7-8,10-12,15,25,28H,4-6,9H2,1-3H3,(H2,20,21,22,27)/t12-,15+/m1/s1
InChIKeyAHSDDOQGJZSMMY-DOMZBBRYSA-N
XLogP2.30
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (CID 142686781) is N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ncc(F)cc1O)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The InChIKey is AHSDDOQGJZSMMY-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H27FN4O5/c1-4-5-6-12(9-23(28)10-24)16(26)15(11(2)3)21-18(27)22-17-14(25)7-13(19)8-20-17/h7-8,10-12,15,25,28H,4-6,9H2,1-3H3,(H2,20,21,22,27)/t12-,15+/m1/s1.
What are the key properties of N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide has a molecular weight of 398.44 g/mol, XLogP of 2.30, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is sourced from PubChem (CID 142686781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).