1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

C15H19F3N2O2 — CID 72900465

IUPAC1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1CCCCCC1
InChIInChI=1S/C15H19F3N2O2/c1-11-8-12(15(16,17)18)9-13(21)20(11)10-14(22)19-6-4-2-3-5-7-19/h8-9H,2-7,10H2,1H3
InChIKeyLDPJYVRTNSCPSM-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.58
Rot. Bonds2

About 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72900465) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID72900465
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1CCCCCC1
InChIInChI=1S/C15H19F3N2O2/c1-11-8-12(15(16,17)18)9-13(21)20(11)10-14(22)19-6-4-2-3-5-7-19/h8-9H,2-7,10H2,1H3
InChIKeyLDPJYVRTNSCPSM-UHFFFAOYSA-N
XLogP2.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopenten-1-yl)-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894038
3-methyl-2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 59284297
(12Z)-8,8-difluoro-2-methyl-11-methylidene-3,4,6,7,9,10-hexahydropyrazino[1,2-a]azonin-1-one
CID 117810116
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]azepane-1-carboxamide
CID 47492756
2-(azepan-1-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 53587635
1-{2-[(3S)-3-(dimethylamino)azepan-1-yl]-2-oxoethyl}-5-(trifluoromethyl)pyridin-2(1H)-one
CID 70740855
N,N-dimethyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72869308
N-isopropyl-N-methyl-2-[6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72880975
6-methyl-1-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72898509
6-methyl-1-(1-methyl-2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72903012
1-[2-[3-(Dimethylamino)azepan-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 77851101
1-[2-(Azepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 84313650

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (CID 72900465) is 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is LDPJYVRTNSCPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-11-8-12(15(16,17)18)9-13(21)20(11)10-14(22)19-6-4-2-3-5-7-19/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72900465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).