4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide

C18H15N3O2 — CID 10709706

IUPAC4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C18H15N3O2/c1-23-15-9-7-14(8-10-15)18(22)21-17-11-16(19-12-20-17)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20,21,22)
InChIKeyBZBCMKNPUNPRQT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.40
Rot. Bonds4

About 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide

4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide (PubChem CID 10709706) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide
PubChem CID10709706
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C18H15N3O2/c1-23-15-9-7-14(8-10-15)18(22)21-17-11-16(19-12-20-17)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20,21,22)
InChIKeyBZBCMKNPUNPRQT-UHFFFAOYSA-N
XLogP3.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide (CID 10709706) is 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide?
The InChIKey is BZBCMKNPUNPRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-15-9-7-14(8-10-15)18(22)21-17-11-16(19-12-20-17)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20,21,22).
What are the key properties of 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide?
4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-phenylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 10709706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).