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

C19H30N4O5 — CID 142686782

IUPACN-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ncc(C)cc1O)C(C)C
InChIInChI=1S/C19H30N4O5/c1-5-6-7-14(10-23(28)11-24)17(26)16(12(2)3)21-19(27)22-18-15(25)8-13(4)9-20-18/h8-9,11-12,14,16,25,28H,5-7,10H2,1-4H3,(H2,20,21,22,27)/t14-,16+/m1/s1
InChIKeyFLFZIEDKDCAHFU-ZBFHGGJFSA-N
MW394.47 g/mol
LogP2.46
Rot. Bonds11

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

N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (PubChem CID 142686782) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
PubChem CID142686782
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC NameN-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ncc(C)cc1O)C(C)C
InChIInChI=1S/C19H30N4O5/c1-5-6-7-14(10-23(28)11-24)17(26)16(12(2)3)21-19(27)22-18-15(25)8-13(4)9-20-18/h8-9,11-12,14,16,25,28H,5-7,10H2,1-4H3,(H2,20,21,22,27)/t14-,16+/m1/s1
InChIKeyFLFZIEDKDCAHFU-ZBFHGGJFSA-N
XLogP2.46
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.46
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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Related Compounds

N-(5-hydroxy-pyridin-2-yl)-7-methyloctan-amide
CID 135137574
[6-[[(3S,5S)-5-[[formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
CID 87812261
[6-[[5-[[Formyl(phenylmethoxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
CID 90688847
[6-[[5-[[Formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]carbamoylamino]-3-pyridinyl] hypofluorite
CID 91275289
1-[2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-N-(5-fluoro-3-hydroxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 140142193
N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 142686781
N-[(2R,4S)-2-butyl-4-[(5-fluoro-3-hydroxy-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-phenylmethoxyformamide
CID 142686791
1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-fluoro-3-hydroxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 145728531
4-fluoro-N-(5-fluoro-3-hydroxy-2-pyridinyl)-1-[2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 145728532
1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-3-hydroxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 145728534
4-[4-(3-Fluoro-5-hydroxy-2-pyridinyl)-1-[(4-fluorophenyl)methyl]-3,6-dioxopiperazin-2-yl]-2-methylpent-4-enamide
CID 153540100
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-fluoro-3-hydroxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 44815958

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (CID 142686782) is N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ncc(C)cc1O)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The InChIKey is FLFZIEDKDCAHFU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H30N4O5/c1-5-6-7-14(10-23(28)11-24)17(26)16(12(2)3)21-19(27)22-18-15(25)8-13(4)9-20-18/h8-9,11-12,14,16,25,28H,5-7,10H2,1-4H3,(H2,20,21,22,27)/t14-,16+/m1/s1.
What are the key properties of N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide has a molecular weight of 394.47 g/mol, XLogP of 2.46, 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-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is sourced from PubChem (CID 142686782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).