3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide

C16H11ClN4O2 — CID 58349087

IUPAC3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(Oc2cccnc2)ncn1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(7-12)16(22)21-14-8-15(20-10-19-14)23-13-5-2-6-18-9-13/h1-10H,(H,19,20,21,22)
InChIKeyLUTAUMDETUZKCG-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.57
Rot. Bonds4

About 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide

3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide (PubChem CID 58349087) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide
PubChem CID58349087
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(Oc2cccnc2)ncn1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(7-12)16(22)21-14-8-15(20-10-19-14)23-13-5-2-6-18-9-13/h1-10H,(H,19,20,21,22)
InChIKeyLUTAUMDETUZKCG-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-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide (CID 58349087) is 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide is O=C(Nc1cc(Oc2cccnc2)ncn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide?
The InChIKey is LUTAUMDETUZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(7-12)16(22)21-14-8-15(20-10-19-14)23-13-5-2-6-18-9-13/h1-10H,(H,19,20,21,22).
What are the key properties of 3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide?
3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)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-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 58349087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).