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

C23H24N6O4 — CID 67297673

IUPAC4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C23H24N6O4/c1-32-19-14-25-21(28-22(19)29-10-12-33-13-11-29)16-4-8-18(9-5-16)27-23(31)26-17-6-2-15(3-7-17)20(24)30/h2-9,14H,10-13H2,1H3,(H2,24,30)(H2,26,27,31)
InChIKeyLTHVVDALSVKTGZ-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.73
Rot. Bonds6

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

4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide (PubChem CID 67297673) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
PubChem CID67297673
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C23H24N6O4/c1-32-19-14-25-21(28-22(19)29-10-12-33-13-11-29)16-4-8-18(9-5-16)27-23(31)26-17-6-2-15(3-7-17)20(24)30/h2-9,14H,10-13H2,1H3,(H2,24,30)(H2,26,27,31)
InChIKeyLTHVVDALSVKTGZ-UHFFFAOYSA-N
XLogP2.73
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide (CID 67297673) is 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide is COc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is LTHVVDALSVKTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-32-19-14-25-21(28-22(19)29-10-12-33-13-11-29)16-4-8-18(9-5-16)27-23(31)26-17-6-2-15(3-7-17)20(24)30/h2-9,14H,10-13H2,1H3,(H2,24,30)(H2,26,27,31).
What are the key properties of 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 448.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 67297673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).