4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide

C21H20N4O3 — CID 134539243

IUPAC4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)c2cnc(NC(C)c3ccc(C(N)=O)cc3)nc2)cc1
InChIInChI=1S/C21H20N4O3/c1-13(14-3-5-16(6-4-14)20(22)27)25-21-23-11-17(12-24-21)19(26)15-7-9-18(28-2)10-8-15/h3-13H,1-2H3,(H2,22,27)(H,23,24,25)
InChIKeySKXZDUFCQPZRIZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.99
Rot. Bonds7

About 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide

4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 134539243) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID134539243
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)c2cnc(NC(C)c3ccc(C(N)=O)cc3)nc2)cc1
InChIInChI=1S/C21H20N4O3/c1-13(14-3-5-16(6-4-14)20(22)27)25-21-23-11-17(12-24-21)19(26)15-7-9-18(28-2)10-8-15/h3-13H,1-2H3,(H2,22,27)(H,23,24,25)
InChIKeySKXZDUFCQPZRIZ-UHFFFAOYSA-N
XLogP2.99
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide (CID 134539243) is 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide is COc1ccc(C(=O)c2cnc(NC(C)c3ccc(C(N)=O)cc3)nc2)cc1.
What is the InChIKey of 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is SKXZDUFCQPZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(14-3-5-16(6-4-14)20(22)27)25-21-23-11-17(12-24-21)19(26)15-7-9-18(28-2)10-8-15/h3-13H,1-2H3,(H2,22,27)(H,23,24,25).
What are the key properties of 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide?
4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-methoxybenzoyl)pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 134539243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).