2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide

C10H14N4O4 — CID 114230892

IUPAC2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
SMILESCN(CCCO)C(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-13(3-2-4-15)10(16)7-5-9(11)12-6-8(7)14(17)18/h5-6,15H,2-4H2,1H3,(H2,11,12)
InChIKeyOOFVGYCFCOTSQJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.03
Rot. Bonds5

About 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide

2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide (PubChem CID 114230892) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
PubChem CID114230892
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
SMILESCN(CCCO)C(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-13(3-2-4-15)10(16)7-5-9(11)12-6-8(7)14(17)18/h5-6,15H,2-4H2,1H3,(H2,11,12)
InChIKeyOOFVGYCFCOTSQJ-UHFFFAOYSA-N
XLogP0.03
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.03
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

2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
CID 114089856
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
2-amino-5-nitropyridine-4-carboxylate
CID 71302450
2-amino-5-fluoro-N-(5-hydroxypentyl)-N-methyl-3-nitrobenzamide
CID 107201138
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
CID 103855583
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 103747642
N-(2-hydroxyethyl)-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 60652597
2-amino-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 114090110
N-(3-chloropropyl)-N,5-dimethyl-2-nitrobenzamide
CID 114230809
2-chloro-N-methyl-5-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 103771796
2-amino-3-chloro-N-(5-hydroxypentyl)-N-methyl-5-nitrobenzamide
CID 107201050
2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295603

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide (CID 114230892) is 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide is CN(CCCO)C(=O)c1cc(N)ncc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide?
The InChIKey is OOFVGYCFCOTSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-13(3-2-4-15)10(16)7-5-9(11)12-6-8(7)14(17)18/h5-6,15H,2-4H2,1H3,(H2,11,12).
What are the key properties of 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide?
2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 114230892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).