N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide

C15H15ClN2O2 — CID 46488346

IUPACN-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C15H15ClN2O2/c1-3-20-14-7-5-11(9-17-14)15(19)18-13-6-4-10(2)8-12(13)16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyREHAAAZEQMXVKV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.69
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide

N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide (PubChem CID 46488346) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
PubChem CID46488346
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C15H15ClN2O2/c1-3-20-14-7-5-11(9-17-14)15(19)18-13-6-4-10(2)8-12(13)16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyREHAAAZEQMXVKV-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide (CID 46488346) is N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide?
The InChIKey is REHAAAZEQMXVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-20-14-7-5-11(9-17-14)15(19)18-13-6-4-10(2)8-12(13)16/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide?
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 46488346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).