2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C19H16ClN3O2 — CID 2738795

IUPAC2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-14-6-8-16(9-7-14)25-19-17(5-3-12-23-19)18(24)22-13-10-15-4-1-2-11-21-15/h1-9,11-12H,10,13H2,(H,22,24)
InChIKeyWPZLKABJPHOMLU-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.89
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 2738795) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID2738795
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-14-6-8-16(9-7-14)25-19-17(5-3-12-23-19)18(24)22-13-10-15-4-1-2-11-21-15/h1-9,11-12H,10,13H2,(H,22,24)
InChIKeyWPZLKABJPHOMLU-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 2738795) is 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is WPZLKABJPHOMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-6-8-16(9-7-14)25-19-17(5-3-12-23-19)18(24)22-13-10-15-4-1-2-11-21-15/h1-9,11-12H,10,13H2,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2738795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).