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

C18H27N3O4 — CID 24760777

IUPACN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)C
InChIInChI=1S/C18H27N3O4/c1-4-5-6-15(11-21(25)12-22)17(23)16(13(2)3)20-18(24)14-7-9-19-10-8-14/h7-10,12-13,15-16,25H,4-6,11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyUSEGJCJYCDIXNO-CVEARBPZSA-N
MW349.43 g/mol
LogP2.06
Rot. Bonds11

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

N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide (PubChem CID 24760777) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide
PubChem CID24760777
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)C
InChIInChI=1S/C18H27N3O4/c1-4-5-6-15(11-21(25)12-22)17(23)16(13(2)3)20-18(24)14-7-9-19-10-8-14/h7-10,12-13,15-16,25H,4-6,11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1
InChIKeyUSEGJCJYCDIXNO-CVEARBPZSA-N
XLogP2.06
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.06
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

N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-4-methylpyridine-3-carboxamide
CID 24760862
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-2-methoxypyridine-3-carboxamide
CID 24760783
N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 90694364
N-[(2R,4S)-2-butyl-4-[(3-hydroxy-5-methyl-2-pyridinyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 142686782
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 130272140
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide (CID 24760777) is N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)C.
What is the InChIKey of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide?
The InChIKey is USEGJCJYCDIXNO-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-5-6-15(11-21(25)12-22)17(23)16(13(2)3)20-18(24)14-7-9-19-10-8-14/h7-10,12-13,15-16,25H,4-6,11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1.
What are the key properties of N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide?
N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.06, 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]pyridine-4-carboxamide is sourced from PubChem (CID 24760777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).