2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide

C14H21ClN2O2 — CID 113477235

IUPAC2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H21ClN2O2/c1-5-19-10(4)8-16-14(18)11-6-12(9(2)3)17-13(15)7-11/h6-7,9-10H,5,8H2,1-4H3,(H,16,18)
InChIKeyXEDZGGOHDXBECL-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.01
Rot. Bonds6

About 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113477235) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113477235
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H21ClN2O2/c1-5-19-10(4)8-16-14(18)11-6-12(9(2)3)17-13(15)7-11/h6-7,9-10H,5,8H2,1-4H3,(H,16,18)
InChIKeyXEDZGGOHDXBECL-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.01
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-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 102700593
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide (CID 113477235) is 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide is CCOC(C)CNC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is XEDZGGOHDXBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-19-10(4)8-16-14(18)11-6-12(9(2)3)17-13(15)7-11/h6-7,9-10H,5,8H2,1-4H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 3.01, 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-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113477235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).