2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

About 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 137355212) has the molecular formula C28H34ClF3N4O3 and a molecular weight of 567.05 g/mol. Its IUPAC name is 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name	2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID	137355212
Molecular Formula	C28H34ClF3N4O3
Molecular Weight	567.05 g/mol
Exact Mass	566.23
IUPAC Name	2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILES	CCc1cccc([C@@](O)(C(=O)N2CC(CC3CCN(c4ccc(C(=O)N(C)C)c(Cl)n4)CC3)C2)C(F)(F)F)c1
InChI	InChI=1S/C28H34ClF3N4O3/c1-4-18-6-5-7-21(15-18)27(39,28(30,31)32)26(38)36-16-20(17-36)14-19-10-12-35(13-11-19)23-9-8-22(24(29)33-23)25(37)34(2)3/h5-9,15,19-20,39H,4,10-14,16-17H2,1-3H3/t27-/m1/s1
InChIKey	VHFJQUVIJLAHPA-HHHXNRCGSA-N
XLogP	4.51
TPSA	76.98 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.05
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 137355212) is 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The canonical SMILES for 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CCc1cccc([C@@](O)(C(=O)N2CC(CC3CCN(c4ccc(C(=O)N(C)C)c(Cl)n4)CC3)C2)C(F)(F)F)c1.

What is the InChIKey of 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The InChIKey is VHFJQUVIJLAHPA-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H34ClF3N4O3/c1-4-18-6-5-7-21(15-18)27(39,28(30,31)32)26(38)36-16-20(17-36)14-19-10-12-35(13-11-19)23-9-8-22(24(29)33-23)25(37)34(2)3/h5-9,15,19-20,39H,4,10-14,16-17H2,1-3H3/t27-/m1/s1.

What are the key properties of 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 567.05 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[4-[[1-[(2R)-2-(3-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]azetidin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 137355212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).