N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide

C18H28N4O4 — CID 53323197

IUPACN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccn1)C(C)C
InChIInChI=1S/C18H28N4O4/c1-4-5-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)20-15-9-6-7-10-19-15/h6-7,9-10,12-14,16,26H,4-5,8,11H2,1-3H3,(H2,19,20,21,25)/t14-,16+/m1/s1
InChIKeyHCHRKOGOVPHJEN-ZBFHGGJFSA-N
MW364.45 g/mol
LogP2.45
Rot. Bonds11

About N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide

N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide (PubChem CID 53323197) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide
PubChem CID53323197
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccn1)C(C)C
InChIInChI=1S/C18H28N4O4/c1-4-5-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)20-15-9-6-7-10-19-15/h6-7,9-10,12-14,16,26H,4-5,8,11H2,1-3H3,(H2,19,20,21,25)/t14-,16+/m1/s1
InChIKeyHCHRKOGOVPHJEN-ZBFHGGJFSA-N
XLogP2.45
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.45
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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Related Compounds

CID 216470
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CID 138454269
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CID 16043336
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CID 155541590
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CID 155557831
CID 155557831
CID 155560644
CID 155560644
CID 3239768
CID 3239768
CID 9550400
CID 9550400
CID 44277173
CID 44277173
CID 44308327
CID 44308327
CID 44339451
CID 44339451
CID 4058680
CID 4058680

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide (CID 53323197) is N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccn1)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
The InChIKey is HCHRKOGOVPHJEN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-4-5-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)20-15-9-6-7-10-19-15/h6-7,9-10,12-14,16,26H,4-5,8,11H2,1-3H3,(H2,19,20,21,25)/t14-,16+/m1/s1.
What are the key properties of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide has a molecular weight of 364.45 g/mol, XLogP of 2.45, 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-5-methyl-3-oxo-4-(pyridin-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide is sourced from PubChem (CID 53323197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).