2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide

C13H19ClN2O2 — CID 113477234

IUPAC2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)nc(CC)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-11-6-10(7-12(14)16-11)13(17)15-8-9(3)18-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyQNOJODWKMJWBKP-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.45
Rot. Bonds6

About 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide

2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide (PubChem CID 113477234) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
PubChem CID113477234
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)nc(CC)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-11-6-10(7-12(14)16-11)13(17)15-8-9(3)18-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyQNOJODWKMJWBKP-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 114175102

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide (CID 113477234) is 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide is CCOC(C)CNC(=O)c1cc(Cl)nc(CC)c1.
What is the InChIKey of 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide?
The InChIKey is QNOJODWKMJWBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-11-6-10(7-12(14)16-11)13(17)15-8-9(3)18-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide?
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 113477234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).