N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H18F3N3O2 — CID 58315763

IUPACN-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-5-14(10-23-16)17(25)24-9-12-1-3-13(4-2-12)15-11-22-7-8-26-15/h1-6,10,15,22H,7-9,11H2,(H,24,25)/t15-/m1/s1
InChIKeyIAKWVQYWHFPJTJ-OAHLLOKOSA-N
MW365.36 g/mol
LogP2.69
Rot. Bonds4

About N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58315763) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58315763
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-5-14(10-23-16)17(25)24-9-12-1-3-13(4-2-12)15-11-22-7-8-26-15/h1-6,10,15,22H,7-9,11H2,(H,24,25)/t15-/m1/s1
InChIKeyIAKWVQYWHFPJTJ-OAHLLOKOSA-N
XLogP2.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide 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-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 58315763) is N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IAKWVQYWHFPJTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-5-14(10-23-16)17(25)24-9-12-1-3-13(4-2-12)15-11-22-7-8-26-15/h1-6,10,15,22H,7-9,11H2,(H,24,25)/t15-/m1/s1.
What are the key properties of N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58315763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).