4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide

C24H26N6O4 — CID 67297620

IUPAC4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SMILESCCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C24H26N6O4/c1-2-34-20-15-26-22(29-23(20)30-11-13-33-14-12-30)17-5-9-19(10-6-17)28-24(32)27-18-7-3-16(4-8-18)21(25)31/h3-10,15H,2,11-14H2,1H3,(H2,25,31)(H2,27,28,32)
InChIKeyPJSXXNBTPHZGEK-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.12
Rot. Bonds7

About 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide

4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide (PubChem CID 67297620) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
PubChem CID67297620
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SMILESCCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C24H26N6O4/c1-2-34-20-15-26-22(29-23(20)30-11-13-33-14-12-30)17-5-9-19(10-6-17)28-24(32)27-18-7-3-16(4-8-18)21(25)31/h3-10,15H,2,11-14H2,1H3,(H2,25,31)(H2,27,28,32)
InChIKeyPJSXXNBTPHZGEK-UHFFFAOYSA-N
XLogP3.12
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide (CID 67297620) is 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide is CCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is PJSXXNBTPHZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-2-34-20-15-26-22(29-23(20)30-11-13-33-14-12-30)17-5-9-19(10-6-17)28-24(32)27-18-7-3-16(4-8-18)21(25)31/h3-10,15H,2,11-14H2,1H3,(H2,25,31)(H2,27,28,32).
What are the key properties of 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 462.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 67297620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).