6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H15ClN2O2 — CID 2093491

IUPAC6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-13-5-2-11(3-6-13)8-9-17-15(19)12-4-7-14(16)18-10-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyLJXCYGWGHXDMCP-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.72
Rot. Bonds5

About 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 2093491) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID2093491
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-13-5-2-11(3-6-13)8-9-17-15(19)12-4-7-14(16)18-10-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyLJXCYGWGHXDMCP-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.72
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 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 2093491) is 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is LJXCYGWGHXDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-13-5-2-11(3-6-13)8-9-17-15(19)12-4-7-14(16)18-10-12/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2093491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).