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

C19H29N3O5 — CID 24760783

IUPACN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccnc1OC)C(C)C
InChIInChI=1S/C19H29N3O5/c1-5-6-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)15-9-7-10-20-19(15)27-4/h7,9-10,12-14,16,26H,5-6,8,11H2,1-4H3,(H,21,25)/t14-,16+/m1/s1
InChIKeyWXMUQDQZFLENND-ZBFHGGJFSA-N
MW379.46 g/mol
LogP2.07
Rot. Bonds12

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

N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 24760783) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID24760783
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccnc1OC)C(C)C
InChIInChI=1S/C19H29N3O5/c1-5-6-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)15-9-7-10-20-19(15)27-4/h7,9-10,12-14,16,26H,5-6,8,11H2,1-4H3,(H,21,25)/t14-,16+/m1/s1
InChIKeyWXMUQDQZFLENND-ZBFHGGJFSA-N
XLogP2.07
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
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-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide
CID 24760777
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide
CID 24760862
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 90694364
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867
N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 142686782
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415816
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide (CID 24760783) is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccnc1OC)C(C)C.
What is the InChIKey of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is WXMUQDQZFLENND-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-5-6-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)15-9-7-10-20-19(15)27-4/h7,9-10,12-14,16,26H,5-6,8,11H2,1-4H3,(H,21,25)/t14-,16+/m1/s1.
What are the key properties of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide?
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.07, 12 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 24760783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).