2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide

C11H14ClN3O4 — CID 113251137

IUPAC2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-3-19-7(2)5-14-11(16)8-4-10(12)13-6-9(8)15(17)18/h4,6-7H,3,5H2,1-2H3,(H,14,16)
InChIKeyFXYVEBNOECNMPG-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.80
Rot. Bonds6

About 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide

2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide (PubChem CID 113251137) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
PubChem CID113251137
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-3-19-7(2)5-14-11(16)8-4-10(12)13-6-9(8)15(17)18/h4,6-7H,3,5H2,1-2H3,(H,14,16)
InChIKeyFXYVEBNOECNMPG-UHFFFAOYSA-N
XLogP1.80
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide
CID 103732129
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
2-chloro-N-methyl-5-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 103771796
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 104583556
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103732194
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
2-chloro-N-(cyanomethyl)-5-nitro-N-propan-2-ylpyridine-4-carboxamide
CID 103758649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide (CID 113251137) is 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide is CCOC(C)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide?
The InChIKey is FXYVEBNOECNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-3-19-7(2)5-14-11(16)8-4-10(12)13-6-9(8)15(17)18/h4,6-7H,3,5H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide has a molecular weight of 287.70 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 113251137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).