2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide

C14H12Cl2N2O2 — CID 114918295

IUPAC2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-12-9-18-13(16)8-11(12)14(19)17-6-7-20-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)
InChIKeyJGZWOLBTRNGPCS-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.20
Rot. Bonds5

About 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide

2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide (PubChem CID 114918295) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
PubChem CID114918295
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-12-9-18-13(16)8-11(12)14(19)17-6-7-20-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)
InChIKeyJGZWOLBTRNGPCS-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
2-chloro-N-(3-phenoxypropyl)-5-sulfanylbenzamide
CID 107028301
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
2-chloro-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005736
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide (CID 114918295) is 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide is O=C(NCCOc1ccccc1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The InChIKey is JGZWOLBTRNGPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-9-18-13(16)8-11(12)14(19)17-6-7-20-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19).
What are the key properties of 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).