5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H23ClF3N3O3 — CID 51953201

IUPAC5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESC[C@H]1CN(CCCNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C17H23ClF3N3O3/c1-11-8-24(9-12(2)27-11)5-3-4-22-15(25)13-6-14(18)16(23-7-13)26-10-17(19,20)21/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,22,25)/t11-,12-/m0/s1
InChIKeyJAJFSPPZPXXNAV-RYUDHWBXSA-N
MW409.84 g/mol
LogP2.91
Rot. Bonds7

About 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 51953201) has the molecular formula C17H23ClF3N3O3 and a molecular weight of 409.84 g/mol. Its IUPAC name is 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID51953201
Molecular FormulaC17H23ClF3N3O3
Molecular Weight409.84 g/mol
Exact Mass409.14
IUPAC Name5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESC[C@H]1CN(CCCNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C17H23ClF3N3O3/c1-11-8-24(9-12(2)27-11)5-3-4-22-15(25)13-6-14(18)16(23-7-13)26-10-17(19,20)21/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,22,25)/t11-,12-/m0/s1
InChIKeyJAJFSPPZPXXNAV-RYUDHWBXSA-N
XLogP2.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953202
5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51116396
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55631610
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55856670
5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71294351
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidine-4-carboxamide
CID 17479017
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
CID 51953209

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 51953201) is 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is C[C@H]1CN(CCCNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C[C@H](C)O1.
What is the InChIKey of 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is JAJFSPPZPXXNAV-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H23ClF3N3O3/c1-11-8-24(9-12(2)27-11)5-3-4-22-15(25)13-6-14(18)16(23-7-13)26-10-17(19,20)21/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,22,25)/t11-,12-/m0/s1.
What are the key properties of 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 409.84 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 51953201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).