3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide

C17H12ClN3O2 — CID 51037724

IUPAC3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Oc2cccnc2)ccn1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(9-13)17(22)21-16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,20,21,22)
InChIKeyDWDWCMMYVDXENC-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.17
Rot. Bonds4

About 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide

3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide (PubChem CID 51037724) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide
PubChem CID51037724
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Oc2cccnc2)ccn1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(9-13)17(22)21-16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,20,21,22)
InChIKeyDWDWCMMYVDXENC-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide (CID 51037724) is 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide is O=C(Nc1cc(Oc2cccnc2)ccn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide?
The InChIKey is DWDWCMMYVDXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(9-13)17(22)21-16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,20,21,22).
What are the key properties of 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide?
3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide has a molecular weight of 325.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide is sourced from PubChem (CID 51037724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).