2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

C15H14Cl2N2O2 — CID 114918638

IUPAC2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)ncc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-9(10-3-5-11(21-2)6-4-10)19-15(20)12-7-14(17)18-8-13(12)16/h3-9H,1-2H3,(H,19,20)
InChIKeyWOZHGLACPPUDOA-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.89
Rot. Bonds4

About 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114918638) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID114918638
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)ncc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-9(10-3-5-11(21-2)6-4-10)19-15(20)12-7-14(17)18-8-13(12)16/h3-9H,1-2H3,(H,19,20)
InChIKeyWOZHGLACPPUDOA-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.89
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

2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 84575899
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 114918638) is 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(C(C)NC(=O)c2cc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is WOZHGLACPPUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9(10-3-5-11(21-2)6-4-10)19-15(20)12-7-14(17)18-8-13(12)16/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).