1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C19H21F3N2O2 — CID 99950395

IUPAC1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C19H21F3N2O2/c1-5-24-12(3)10-11(2)16(18(24)26)17(25)23-13(4)14-8-6-7-9-15(14)19(20,21)22/h6-10,13H,5H2,1-4H3,(H,23,25)/t13-/m0/s1
InChIKeyXHJFPVNXRBZOBM-ZDUSSCGKSA-N
MW366.38 g/mol
LogP3.99
Rot. Bonds4

About 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 99950395) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID99950395
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C19H21F3N2O2/c1-5-24-12(3)10-11(2)16(18(24)26)17(25)23-13(4)14-8-6-7-9-15(14)19(20,21)22/h6-10,13H,5H2,1-4H3,(H,23,25)/t13-/m0/s1
InChIKeyXHJFPVNXRBZOBM-ZDUSSCGKSA-N
XLogP3.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77091531
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 154775116
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 77080184
N-(2-benzylsulfanylethyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77096387
1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
CID 34404237
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 29105698
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 99950395) is 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is CCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is XHJFPVNXRBZOBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-5-24-12(3)10-11(2)16(18(24)26)17(25)23-13(4)14-8-6-7-9-15(14)19(20,21)22/h6-10,13H,5H2,1-4H3,(H,23,25)/t13-/m0/s1.
What are the key properties of 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 99950395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).