3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide

C25H23F3N4O4 — CID 90459713

IUPAC3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)ccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N4O4/c26-25(27,28)36-21-8-6-18(14-20(21)30-23(33)16-32-10-12-35-13-11-32)24(34)31-22-9-7-19(15-29-22)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,30,33)(H,29,31,34)
InChIKeyOEZXPVZTYHPRBN-UHFFFAOYSA-N
MW500.48 g/mol
LogP4.17
Rot. Bonds7

About 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide

3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide (PubChem CID 90459713) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide
PubChem CID90459713
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC Name3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)ccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N4O4/c26-25(27,28)36-21-8-6-18(14-20(21)30-23(33)16-32-10-12-35-13-11-32)24(34)31-22-9-7-19(15-29-22)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,30,33)(H,29,31,34)
InChIKeyOEZXPVZTYHPRBN-UHFFFAOYSA-N
XLogP4.17
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide (CID 90459713) is 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)ccc1OC(F)(F)F.
What is the InChIKey of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is OEZXPVZTYHPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c26-25(27,28)36-21-8-6-18(14-20(21)30-23(33)16-32-10-12-35-13-11-32)24(34)31-22-9-7-19(15-29-22)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H,30,33)(H,29,31,34).
What are the key properties of 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 500.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylacetyl)amino]-N-(5-phenyl-2-pyridinyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90459713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).