4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide

C12H13ClF3N3O2 — CID 81228294

IUPAC4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C12H13ClF3N3O2/c1-7-3-9(13)8(4-17-7)11(21)19(2)5-10(20)18-6-12(14,15)16/h3-4H,5-6H2,1-2H3,(H,18,20)
InChIKeyNFZWOGYBKISBPH-UHFFFAOYSA-N
MW323.70 g/mol
LogP1.79
Rot. Bonds4

About 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide

4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 81228294) has the molecular formula C12H13ClF3N3O2 and a molecular weight of 323.70 g/mol. Its IUPAC name is 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
PubChem CID81228294
Molecular FormulaC12H13ClF3N3O2
Molecular Weight323.70 g/mol
Exact Mass323.06
IUPAC Name4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C12H13ClF3N3O2/c1-7-3-9(13)8(4-17-7)11(21)19(2)5-10(20)18-6-12(14,15)16/h3-4H,5-6H2,1-2H3,(H,18,20)
InChIKeyNFZWOGYBKISBPH-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113268050
2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61110031
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226727
2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
CID 112733475
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide (CID 81228294) is 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N(C)CC(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is NFZWOGYBKISBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O2/c1-7-3-9(13)8(4-17-7)11(21)19(2)5-10(20)18-6-12(14,15)16/h3-4H,5-6H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide?
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 323.70 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81228294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).