N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide

C28H30F3N3O — CID 42318970

IUPACN-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C28H30F3N3O/c1-33(27(35)25-9-5-6-16-32-25)26(19-21-7-3-2-4-8-21)23-14-17-34(18-15-23)20-22-10-12-24(13-11-22)28(29,30)31/h2-13,16,23,26H,14-15,17-20H2,1H3/t26-/m0/s1
InChIKeyZBVNIIKQXRVPDG-SANMLTNESA-N
MW481.56 g/mol
LogP5.70
Rot. Bonds7

About N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide

N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide (PubChem CID 42318970) has the molecular formula C28H30F3N3O and a molecular weight of 481.56 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
PubChem CID42318970
Molecular FormulaC28H30F3N3O
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC NameN-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C28H30F3N3O/c1-33(27(35)25-9-5-6-16-32-25)26(19-21-7-3-2-4-8-21)23-14-17-34(18-15-23)20-22-10-12-24(13-11-22)28(29,30)31/h2-13,16,23,26H,14-15,17-20H2,1H3/t26-/m0/s1
InChIKeyZBVNIIKQXRVPDG-SANMLTNESA-N
XLogP5.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-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-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide (CID 42318970) is N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide is CN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is ZBVNIIKQXRVPDG-SANMLTNESA-N. The full InChI is InChI=1S/C28H30F3N3O/c1-33(27(35)25-9-5-6-16-32-25)26(19-21-7-3-2-4-8-21)23-14-17-34(18-15-23)20-22-10-12-24(13-11-22)28(29,30)31/h2-13,16,23,26H,14-15,17-20H2,1H3/t26-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42318970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).