N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C26H25F3N4O4 — CID 134278928

IUPACN-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3C(F)(F)F)[C@@H](c3ccccc3)C2)nc1OC
InChIInChI=1S/C26H25F3N4O4/c1-36-21-11-10-20(32-24(21)37-2)25(35)33-14-12-19(17(15-33)16-7-4-3-5-8-16)31-23(34)22-18(26(27,28)29)9-6-13-30-22/h3-11,13,17,19H,12,14-15H2,1-2H3,(H,31,34)/t17-,19-/m1/s1
InChIKeyJOYAHCAMVFRCAY-IEBWSBKVSA-N
MW514.50 g/mol
LogP3.94
Rot. Bonds6

About N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134278928) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134278928
Molecular FormulaC26H25F3N4O4
Molecular Weight514.50 g/mol
Exact Mass514.18
IUPAC NameN-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3C(F)(F)F)[C@@H](c3ccccc3)C2)nc1OC
InChIInChI=1S/C26H25F3N4O4/c1-36-21-11-10-20(32-24(21)37-2)25(35)33-14-12-19(17(15-33)16-7-4-3-5-8-16)31-23(34)22-18(26(27,28)29)9-6-13-30-22/h3-11,13,17,19H,12,14-15H2,1-2H3,(H,31,34)/t17-,19-/m1/s1
InChIKeyJOYAHCAMVFRCAY-IEBWSBKVSA-N
XLogP3.94
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)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-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 134278928) is N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3C(F)(F)F)[C@@H](c3ccccc3)C2)nc1OC.
What is the InChIKey of N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JOYAHCAMVFRCAY-IEBWSBKVSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c1-36-21-11-10-20(32-24(21)37-2)25(35)33-14-12-19(17(15-33)16-7-4-3-5-8-16)31-23(34)22-18(26(27,28)29)9-6-13-30-22/h3-11,13,17,19H,12,14-15H2,1-2H3,(H,31,34)/t17-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 514.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5,6-dimethoxypyridine-2-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134278928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).