5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide

C10H14N4O4 — CID 114195884

IUPAC5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc([N+](=O)[O-])ncc1N
InChIInChI=1S/C10H14N4O4/c1-6(5-15)13(2)10(16)7-3-9(14(17)18)12-4-8(7)11/h3-4,6,15H,5,11H2,1-2H3
InChIKeyJCHIAPPGUWMIMZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.02
Rot. Bonds4

About 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide

5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide (PubChem CID 114195884) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide
PubChem CID114195884
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc([N+](=O)[O-])ncc1N
InChIInChI=1S/C10H14N4O4/c1-6(5-15)13(2)10(16)7-3-9(14(17)18)12-4-8(7)11/h3-4,6,15H,5,11H2,1-2H3
InChIKeyJCHIAPPGUWMIMZ-UHFFFAOYSA-N
XLogP0.02
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 104553488
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 109388408
5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
CID 114195860
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzamide
CID 112704636
4-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitrobenzamide
CID 114278205
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 119583999
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
N-(2-aminobutyl)-5-bromo-2-nitropyridine-4-carboxamide
CID 114194617

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide?
The IUPAC name of 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide (CID 114195884) is 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide is CC(CO)N(C)C(=O)c1cc([N+](=O)[O-])ncc1N.
What is the InChIKey of 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide?
The InChIKey is JCHIAPPGUWMIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6(5-15)13(2)10(16)7-3-9(14(17)18)12-4-8(7)11/h3-4,6,15H,5,11H2,1-2H3.
What are the key properties of 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide?
5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide is sourced from PubChem (CID 114195884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).