N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

C25H22F3N3O4 — CID 71693460

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3N3O4/c26-25(27,28)19-5-1-18(2-6-19)24(34)30-20-7-3-17(4-8-20)23-21(14-32)31(22(33)15-35-23)13-16-9-11-29-12-10-16/h1-12,21,23,32H,13-15H2,(H,30,34)/t21-,23-/m1/s1
InChIKeyKBCPTLPWIQHMQR-FYYLOGMGSA-N
MW485.46 g/mol
LogP3.81
Rot. Bonds6

About N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 71693460) has the molecular formula C25H22F3N3O4 and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID71693460
Molecular FormulaC25H22F3N3O4
Molecular Weight485.46 g/mol
Exact Mass485.16
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3N3O4/c26-25(27,28)19-5-1-18(2-6-19)24(34)30-20-7-3-17(4-8-20)23-21(14-32)31(22(33)15-35-23)13-16-9-11-29-12-10-16/h1-12,21,23,32H,13-15H2,(H,30,34)/t21-,23-/m1/s1
InChIKeyKBCPTLPWIQHMQR-FYYLOGMGSA-N
XLogP3.81
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 71693460) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccncc3)[C@@H]2CO)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is KBCPTLPWIQHMQR-FYYLOGMGSA-N. The full InChI is InChI=1S/C25H22F3N3O4/c26-25(27,28)19-5-1-18(2-6-19)24(34)30-20-7-3-17(4-8-20)23-21(14-32)31(22(33)15-35-23)13-16-9-11-29-12-10-16/h1-12,21,23,32H,13-15H2,(H,30,34)/t21-,23-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 485.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71693460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).