3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

C16H11ClN4O2 — CID 58349154

IUPAC3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4O2/c17-12-3-1-2-11(4-12)16(22)21-13-5-14(7-18-6-13)23-15-8-19-10-20-9-15/h1-10H,(H,21,22)
InChIKeyCHQAVODTDIEWRE-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.57
Rot. Bonds4

About 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (PubChem CID 58349154) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
PubChem CID58349154
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4O2/c17-12-3-1-2-11(4-12)16(22)21-13-5-14(7-18-6-13)23-15-8-19-10-20-9-15/h1-10H,(H,21,22)
InChIKeyCHQAVODTDIEWRE-UHFFFAOYSA-N
XLogP3.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (CID 58349154) is 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The InChIKey is CHQAVODTDIEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-12-3-1-2-11(4-12)16(22)21-13-5-14(7-18-6-13)23-15-8-19-10-20-9-15/h1-10H,(H,21,22).
What are the key properties of 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide has a molecular weight of 326.74 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 58349154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).