N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H22F3N3O2 — CID 71087365

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)16(18(28)24-4)26-17(27)15-10-6-9-14(25-15)12-7-5-8-13(11-12)20(21,22)23/h5-11,16H,1-4H3,(H,24,28)(H,26,27)/t16-/m1/s1
InChIKeyVAADXZLXXYFTQC-MRXNPFEDSA-N
MW393.41 g/mol
LogP3.66
Rot. Bonds4

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 71087365) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID71087365
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)16(18(28)24-4)26-17(27)15-10-6-9-14(25-15)12-7-5-8-13(11-12)20(21,22)23/h5-11,16H,1-4H3,(H,24,28)(H,26,27)/t16-/m1/s1
InChIKeyVAADXZLXXYFTQC-MRXNPFEDSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 71087365) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VAADXZLXXYFTQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-19(2,3)16(18(28)24-4)26-17(27)15-10-6-9-14(25-15)12-7-5-8-13(11-12)20(21,22)23/h5-11,16H,1-4H3,(H,24,28)(H,26,27)/t16-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 71087365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).