N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide

C11H15N3O6 — CID 170830706

IUPACN-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
SMILESCOc1ncc([N+](=O)[O-])cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C11H15N3O6/c1-6(15)12-5-9(16)10(17)8-3-7(14(18)19)4-13-11(8)20-2/h3-4,9-10,16-17H,5H2,1-2H3,(H,12,15)
InChIKeyNOGYDFGDGFCGSM-UHFFFAOYSA-N
MW285.26 g/mol
LogP-0.47
Rot. Bonds6

About N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide

N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide (PubChem CID 170830706) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
PubChem CID170830706
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
SMILESCOc1ncc([N+](=O)[O-])cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C11H15N3O6/c1-6(15)12-5-9(16)10(17)8-3-7(14(18)19)4-13-11(8)20-2/h3-4,9-10,16-17H,5H2,1-2H3,(H,12,15)
InChIKeyNOGYDFGDGFCGSM-UHFFFAOYSA-N
XLogP-0.47
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(2-methoxy-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171881905
benzyl N-[3,4-dihydroxy-4-(2-methoxy-5-nitro-3-pyridinyl)butyl]carbamate
CID 171889073
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830052
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
methyl 4-(2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895962
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830782
methyl 4-(2-amino-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896095
3-(3-acetamido-1,2-dihydroxypropyl)-5-nitrobenzamide
CID 170830962
N-[2,3-dihydroxy-3-[3-nitro-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831023
tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170832220
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-5-nitrophenyl)propyl]carbamate
CID 170832834

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide (CID 170830706) is N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide is COc1ncc([N+](=O)[O-])cc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide?
The InChIKey is NOGYDFGDGFCGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-6(15)12-5-9(16)10(17)8-3-7(14(18)19)4-13-11(8)20-2/h3-4,9-10,16-17H,5H2,1-2H3,(H,12,15).
What are the key properties of N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide has a molecular weight of 285.26 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide is sourced from PubChem (CID 170830706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).