N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide

C19H29N3O4 — CID 24760862

IUPACN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cnccc1C)C(C)C
InChIInChI=1S/C19H29N3O4/c1-5-6-7-15(11-22(26)12-23)18(24)17(13(2)3)21-19(25)16-10-20-9-8-14(16)4/h8-10,12-13,15,17,26H,5-7,11H2,1-4H3,(H,21,25)/t15-,17+/m1/s1
InChIKeyIGDRFIFCLFZRFS-WBVHZDCISA-N
MW363.46 g/mol
LogP2.37
Rot. Bonds11

About N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide

N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide (PubChem CID 24760862) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide
PubChem CID24760862
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cnccc1C)C(C)C
InChIInChI=1S/C19H29N3O4/c1-5-6-7-15(11-22(26)12-23)18(24)17(13(2)3)21-19(25)16-10-20-9-8-14(16)4/h8-10,12-13,15,17,26H,5-7,11H2,1-4H3,(H,21,25)/t15-,17+/m1/s1
InChIKeyIGDRFIFCLFZRFS-WBVHZDCISA-N
XLogP2.37
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

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N-(4,4-Diphenyl-butyl)-nicotinamide
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N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
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CID 6498664
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 9467825

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide (CID 24760862) is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cnccc1C)C(C)C.
What is the InChIKey of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is IGDRFIFCLFZRFS-WBVHZDCISA-N. The full InChI is InChI=1S/C19H29N3O4/c1-5-6-7-15(11-22(26)12-23)18(24)17(13(2)3)21-19(25)16-10-20-9-8-14(16)4/h8-10,12-13,15,17,26H,5-7,11H2,1-4H3,(H,21,25)/t15-,17+/m1/s1.
What are the key properties of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide?
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 24760862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).