2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid

C10H14N4O4 — CID 98016555

IUPAC2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
SMILESCN(C)CCNc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C10H14N4O4/c1-13(2)4-3-11-9-8(10(15)16)5-7(6-12-9)14(17)18/h5-6H,3-4H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyBXICZJXBKWEBFS-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.66
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid

2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid (PubChem CID 98016555) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
PubChem CID98016555
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
SMILESCN(C)CCNc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C10H14N4O4/c1-13(2)4-3-11-9-8(10(15)16)5-7(6-12-9)14(17)18/h5-6H,3-4H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyBXICZJXBKWEBFS-UHFFFAOYSA-N
XLogP0.66
TPSA108.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.66
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-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
2-[(2,2-difluoro-3-hydroxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114154314
2-(3,3-dimethylbutan-2-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046842
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 106190136
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788
4-[2-(dimethylamino)ethylamino]-2-fluoro-5-nitrobenzoic acid
CID 113394182
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046856
2-[2-[ethyl(methyl)amino]ethylamino]-5-nitrobenzoic acid
CID 55097837
2-[[1-(hydroxymethyl)cyclobutyl]amino]-5-nitropyridine-3-carboxylic acid
CID 114046863
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79534620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid (CID 98016555) is 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid is CN(C)CCNc1ncc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is BXICZJXBKWEBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-13(2)4-3-11-9-8(10(15)16)5-7(6-12-9)14(17)18/h5-6H,3-4H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid?
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 98016555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).