N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide

C16H17ClN2O2 — CID 2481263

IUPACN-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-16-14(4-3-10-19-16)15(20)18-11-9-12-5-7-13(17)8-6-12/h3-8,10H,2,9,11H2,1H3,(H,18,20)
InChIKeyGNFCUBYTZAFLPI-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 2481263) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
PubChem CID2481263
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-16-14(4-3-10-19-16)15(20)18-11-9-12-5-7-13(17)8-6-12/h3-8,10H,2,9,11H2,1H3,(H,18,20)
InChIKeyGNFCUBYTZAFLPI-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide (CID 2481263) is N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is GNFCUBYTZAFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-21-16-14(4-3-10-19-16)15(20)18-11-9-12-5-7-13(17)8-6-12/h3-8,10H,2,9,11H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2481263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).