6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

C18H13ClN2O3 — CID 118038351

IUPAC6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)nc1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H13ClN2O3/c19-16-11-10-15(17(20)22)18(21-16)24-14-8-6-13(7-9-14)23-12-4-2-1-3-5-12/h1-11H,(H2,20,22)
InChIKeyYUUFTTCXKKUWJY-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.42
Rot. Bonds5

About 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (PubChem CID 118038351) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
PubChem CID118038351
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)nc1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H13ClN2O3/c19-16-11-10-15(17(20)22)18(21-16)24-14-8-6-13(7-9-14)23-12-4-2-1-3-5-12/h1-11H,(H2,20,22)
InChIKeyYUUFTTCXKKUWJY-UHFFFAOYSA-N
XLogP4.42
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (CID 118038351) is 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide is NC(=O)c1ccc(Cl)nc1Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is YUUFTTCXKKUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-16-11-10-15(17(20)22)18(21-16)24-14-8-6-13(7-9-14)23-12-4-2-1-3-5-12/h1-11H,(H2,20,22).
What are the key properties of 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 118038351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).