4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide

C18H14ClN3O2 — CID 171537783

IUPAC4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C18H14ClN3O2/c1-11-6-12(2-3-16(11)18(20)23)17-8-14(4-5-22-17)24-15-7-13(19)9-21-10-15/h2-10H,1H3,(H2,20,23)
InChIKeyUEYJEBDXHQNSEA-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.00
Rot. Bonds4

About 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide

4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide (PubChem CID 171537783) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
PubChem CID171537783
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C18H14ClN3O2/c1-11-6-12(2-3-16(11)18(20)23)17-8-14(4-5-22-17)24-15-7-13(19)9-21-10-15/h2-10H,1H3,(H2,20,23)
InChIKeyUEYJEBDXHQNSEA-UHFFFAOYSA-N
XLogP4.00
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide (CID 171537783) is 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2cc(Oc3cncc(Cl)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide?
The InChIKey is UEYJEBDXHQNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11-6-12(2-3-16(11)18(20)23)17-8-14(4-5-22-17)24-15-7-13(19)9-21-10-15/h2-10H,1H3,(H2,20,23).
What are the key properties of 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide?
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 339.78 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 171537783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).