1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide

C35H34F3N5O4 — CID 67518411

About 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide

1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 67518411) has the molecular formula C35H34F3N5O4 and a molecular weight of 645.68 g/mol. Its IUPAC name is 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide
• PubChem CID: 67518411
• Molecular Formula: C35H34F3N5O4
• Molecular Weight: 645.68 g/mol
• Exact Mass: 645.26
• IUPAC Name: 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide
• SMILES: CN(CCN1CCOCC1)C(=O)c1c(-c2ccccn2)ccc(C(=O)N(C(N)=O)C(c2ccccc2)C(F)(F)F)c1-c1ccccc1
• InChI: InChI=1S/C35H34F3N5O4/c1-41(18-19-42-20-22-47-23-21-42)33(45)30-26(28-14-8-9-17-40-28)15-16-27(29(30)24-10-4-2-5-11-24)32(44)43(34(39)46)31(35(36,37)38)25-12-6-3-7-13-25/h2-17,31H,18-23H2,1H3,(H2,39,46)
• InChIKey: VMHWQAZEVIRECF-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 109.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.68
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide?

The IUPAC name of 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide (CID 67518411) is 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide is CN(CCN1CCOCC1)C(=O)c1c(-c2ccccn2)ccc(C(=O)N(C(N)=O)C(c2ccccc2)C(F)(F)F)c1-c1ccccc1.

What is the InChIKey of 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide?

The InChIKey is VMHWQAZEVIRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N5O4/c1-41(18-19-42-20-22-47-23-21-42)33(45)30-26(28-14-8-9-17-40-28)15-16-27(29(30)24-10-4-2-5-11-24)32(44)43(34(39)46)31(35(36,37)38)25-12-6-3-7-13-25/h2-17,31H,18-23H2,1H3,(H2,39,46).

What are the key properties of 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide?

1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 645.68 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-carbamoyl-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-phenyl-4-pyridin-2-yl-1-N-(2,2,2-trifluoro-1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 67518411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).