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

C18H27FN4O4 — CID 142686785

IUPACN-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccc(F)cn1)C(C)C
InChIInChI=1S/C18H27FN4O4/c1-4-5-6-13(10-23(27)11-24)17(25)16(12(2)3)22-18(26)21-15-8-7-14(19)9-20-15/h7-9,11-13,16,27H,4-6,10H2,1-3H3,(H2,20,21,22,26)/t13-,16+/m1/s1
InChIKeyNGEFZXDKARPLSH-CJNGLKHVSA-N
MW382.44 g/mol
LogP2.59
Rot. Bonds11

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

N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (PubChem CID 142686785) has the molecular formula C18H27FN4O4 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
PubChem CID142686785
Molecular FormulaC18H27FN4O4
Molecular Weight382.44 g/mol
Exact Mass382.20
IUPAC NameN-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccc(F)cn1)C(C)C
InChIInChI=1S/C18H27FN4O4/c1-4-5-6-13(10-23(27)11-24)17(25)16(12(2)3)22-18(26)21-15-8-7-14(19)9-20-15/h7-9,11-13,16,27H,4-6,10H2,1-3H3,(H2,20,21,22,26)/t13-,16+/m1/s1
InChIKeyNGEFZXDKARPLSH-CJNGLKHVSA-N
XLogP2.59
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (CID 142686785) is N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccc(F)cn1)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The InChIKey is NGEFZXDKARPLSH-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H27FN4O4/c1-4-5-6-13(10-23(27)11-24)17(25)16(12(2)3)22-18(26)21-15-8-7-14(19)9-20-15/h7-9,11-13,16,27H,4-6,10H2,1-3H3,(H2,20,21,22,26)/t13-,16+/m1/s1.
What are the key properties of N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide has a molecular weight of 382.44 g/mol, XLogP of 2.59, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-butyl-4-[(5-fluoro-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is sourced from PubChem (CID 142686785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).