(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide

C16H24F3N3O2 — CID 175920251

IUPAC(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](C(N)=O)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C16H24F3N3O2/c1-10(2)7-13(15(20)24)22-9-11(5-6-21(3)4)12(8-14(22)23)16(17,18)19/h8-10,13H,5-7H2,1-4H3,(H2,20,24)/t13-/m0/s1
InChIKeyJGGRKKWTTBTIDY-ZDUSSCGKSA-N
MW347.38 g/mol
LogP2.04
Rot. Bonds7

About (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide

(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide (PubChem CID 175920251) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
PubChem CID175920251
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](C(N)=O)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C16H24F3N3O2/c1-10(2)7-13(15(20)24)22-9-11(5-6-21(3)4)12(8-14(22)23)16(17,18)19/h8-10,13H,5-7H2,1-4H3,(H2,20,24)/t13-/m0/s1
InChIKeyJGGRKKWTTBTIDY-ZDUSSCGKSA-N
XLogP2.04
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 94026741
2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589516
2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 20589517
(2S)-2-(difluoroamino)-2,3,4,4-tetrafluoro-3-methyl-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589519
2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 67821216
(2S)-2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 70086543
(2S)-2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 70087750
(2S,3S)-2-(difluoroamino)-2,3,4,4-tetrafluoro-3-methyl-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 88140628
N-[[1-[2-(pentylamino)acetyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216577
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
2,2,2-trifluoro-N-[(2R,4E)-6-methyl-5-methylidene-4-(1-methyl-2-pyridinylidene)-3-oxoheptan-2-yl]acetamide
CID 144113992
2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methyl-N-sulfanylpentanamide
CID 146182921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide (CID 175920251) is (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide is CC(C)C[C@@H](C(N)=O)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O.
What is the InChIKey of (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide?
The InChIKey is JGGRKKWTTBTIDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-10(2)7-13(15(20)24)22-9-11(5-6-21(3)4)12(8-14(22)23)16(17,18)19/h8-10,13H,5-7H2,1-4H3,(H2,20,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide?
(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide has a molecular weight of 347.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 175920251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).