N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide

C11H16N4O5 — CID 170830782

IUPACN-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cnc(N)c([N+](=O)[O-])c1C
InChIInChI=1S/C11H16N4O5/c1-5-7(3-14-11(12)9(5)15(19)20)10(18)8(17)4-13-6(2)16/h3,8,10,17-18H,4H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyBCAGUYZQXWQYFA-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.59
Rot. Bonds5

About N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide

N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830782) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830782
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC NameN-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cnc(N)c([N+](=O)[O-])c1C
InChIInChI=1S/C11H16N4O5/c1-5-7(3-14-11(12)9(5)15(19)20)10(18)8(17)4-13-6(2)16/h3,8,10,17-18H,4H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyBCAGUYZQXWQYFA-UHFFFAOYSA-N
XLogP-0.59
TPSA151.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
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

N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149
N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830684
N-[3-(2-fluoro-4-methyl-5-nitrophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830726
N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
CID 170830706
3-amino-1-(6-chloro-4-methyl-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170828651
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083
ethyl 3,4-dihydroxy-4-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)butanoate
CID 171898287
3-(3-acetamido-1,2-dihydroxypropyl)-5-nitrobenzamide
CID 170830962
4-bromo-1-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892914
5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
CID 143994172

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide (CID 170830782) is N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cnc(N)c([N+](=O)[O-])c1C.
What is the InChIKey of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is BCAGUYZQXWQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-5-7(3-14-11(12)9(5)15(19)20)10(18)8(17)4-13-6(2)16/h3,8,10,17-18H,4H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 284.27 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).