N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide

C15H15ClN2O2 — CID 2574091

IUPACN-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15-12(7-5-9-17-15)14(19)18-10-11-6-3-4-8-13(11)16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyOBXLKUJEZCLONA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.06
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 2574091) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
PubChem CID2574091
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15-12(7-5-9-17-15)14(19)18-10-11-6-3-4-8-13(11)16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyOBXLKUJEZCLONA-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide (CID 2574091) is N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is OBXLKUJEZCLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-15-12(7-5-9-17-15)14(19)18-10-11-6-3-4-8-13(11)16/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2574091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).