6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid

C11H14N4O5 — CID 106916004

IUPAC6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid
SMILESCNC(=O)CCN(C)c1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5/c1-12-9(16)5-6-14(2)10-8(15(19)20)4-3-7(13-10)11(17)18/h3-4H,5-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyZCILRAPDSXBYMQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.26
Rot. Bonds6

About 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid

6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid (PubChem CID 106916004) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid
PubChem CID106916004
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid
SMILESCNC(=O)CCN(C)c1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O5/c1-12-9(16)5-6-14(2)10-8(15(19)20)4-3-7(13-10)11(17)18/h3-4H,5-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyZCILRAPDSXBYMQ-UHFFFAOYSA-N
XLogP0.26
TPSA125.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.26
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

6-[methyl(thiophen-2-ylmethyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403637
6-(N-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403394
methyl 6-[3-(dimethylamino)propyl-methylamino]-5-nitropyridine-2-carboxylate
CID 114404135
6-[methyl-[(2-methylfuran-3-yl)methyl]amino]-5-nitropyridine-2-carboxylic acid
CID 114403775
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
6-(dibenzylamino)-5-nitropyridine-2-carboxylic acid
CID 67420399
methyl 4-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]butanoate
CID 81136505
3-[[6-(ethylamino)-5-nitropyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918572
3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 106917521
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403711
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid (CID 106916004) is 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid is CNC(=O)CCN(C)c1nc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid?
The InChIKey is ZCILRAPDSXBYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-12-9(16)5-6-14(2)10-8(15(19)20)4-3-7(13-10)11(17)18/h3-4H,5-6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid?
6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[3-(methylamino)-3-oxopropyl]amino]-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 106916004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).