N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide

C24H19N3O2 — CID 11164926

IUPACN-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-20-14-12-19(13-15-20)24(28)27-22-16-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,26,27,28)
InChIKeyMBENQPPTPPATJL-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.07
Rot. Bonds5

About N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide

N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide (PubChem CID 11164926) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide
PubChem CID11164926
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-20-14-12-19(13-15-20)24(28)27-22-16-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,26,27,28)
InChIKeyMBENQPPTPPATJL-UHFFFAOYSA-N
XLogP5.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide (CID 11164926) is N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide?
The InChIKey is MBENQPPTPPATJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-20-14-12-19(13-15-20)24(28)27-22-16-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,26,27,28).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide?
N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide has a molecular weight of 381.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 11164926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).