4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide

C29H30N8O3 — CID 67021839

About 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide

4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide (PubChem CID 67021839) has the molecular formula C29H30N8O3 and a molecular weight of 538.61 g/mol. Its IUPAC name is 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide.

Molecular Properties

• Compound Name: 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide
• PubChem CID: 67021839
• Molecular Formula: C29H30N8O3
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.24
• IUPAC Name: 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide
• SMILES: CC(C)c1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C29H30N8O3/c1-19(2)25-34-26(36-28(35-25)37-14-16-40-17-15-37)20-5-9-22(10-6-20)32-29(39)33-23-11-7-21(8-12-23)27(38)31-24-4-3-13-30-18-24/h3-13,18-19H,14-17H2,1-2H3,(H,31,38)(H2,32,33,39)
• InChIKey: WNOHXLXQSYEZEI-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 134.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide?

The IUPAC name of 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide (CID 67021839) is 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide.

What is the SMILES notation for 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide?

The canonical SMILES for 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide is CC(C)c1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cc2)nc(N2CCOCC2)n1.

What is the InChIKey of 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide?

The InChIKey is WNOHXLXQSYEZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O3/c1-19(2)25-34-26(36-28(35-25)37-14-16-40-17-15-37)20-5-9-22(10-6-20)32-29(39)33-23-11-7-21(8-12-23)27(38)31-24-4-3-13-30-18-24/h3-13,18-19H,14-17H2,1-2H3,(H,31,38)(H2,32,33,39).

What are the key properties of 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide?

4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide has a molecular weight of 538.61 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67021839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).