5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H14Cl2N2O2 — CID 2487093

IUPAC5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-12-4-2-10(3-5-12)6-7-18-15(20)11-8-13(16)14(17)19-9-11/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyINIYOASELNCBSQ-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.37
Rot. Bonds5

About 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 2487093) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID2487093
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-12-4-2-10(3-5-12)6-7-18-15(20)11-8-13(16)14(17)19-9-11/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKeyINIYOASELNCBSQ-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 2487093) is 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is INIYOASELNCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-21-12-4-2-10(3-5-12)6-7-18-15(20)11-8-13(16)14(17)19-9-11/h2-5,8-9H,6-7H2,1H3,(H,18,20).
What are the key properties of 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2487093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).