2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

C23H22N4O3 — CID 90544115

IUPAC2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C23H22N4O3/c1-16-6-8-17(9-7-16)22(28)18-4-2-3-5-19(18)23(29)26-20-14-21(25-15-24-20)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26,29)
InChIKeyQGIXJNALECVQGR-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (PubChem CID 90544115) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
PubChem CID90544115
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C23H22N4O3/c1-16-6-8-17(9-7-16)22(28)18-4-2-3-5-19(18)23(29)26-20-14-21(25-15-24-20)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26,29)
InChIKeyQGIXJNALECVQGR-UHFFFAOYSA-N
XLogP3.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2-(4-fluorobenzoyl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 46553100
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
CID 71794861

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (CID 90544115) is 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The InChIKey is QGIXJNALECVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-6-8-17(9-7-16)22(28)18-4-2-3-5-19(18)23(29)26-20-14-21(25-15-24-20)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26,29).
What are the key properties of 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 90544115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).