N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C17H23F3N2O2 — CID 69470593

IUPACN-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCNC(=O)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2
InChIInChI=1S/C17H23F3N2O2/c1-21-15(23)13-11-12-7-4-2-3-5-8-14(12)22(16(13)24)10-6-9-17(18,19)20/h11H,2-10H2,1H3,(H,21,23)
InChIKeyXZGCONBLLFYMAH-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 69470593) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID69470593
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCNC(=O)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2
InChIInChI=1S/C17H23F3N2O2/c1-21-15(23)13-11-12-7-4-2-3-5-8-14(12)22(16(13)24)10-6-9-17(18,19)20/h11H,2-10H2,1H3,(H,21,23)
InChIKeyXZGCONBLLFYMAH-UHFFFAOYSA-N
XLogP3.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587763
1-Butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 22266537
1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718804
1-butyl-N-(1-methylpiperidin-4-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660182
3-(Azocane-1-carbonyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 71930383
2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718844
6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
6-ethyl-N,5-dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 68082881
N-hydroxy-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 88855039
1-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]-N-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 89346882
N-hydroxy-N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 89503023
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine
CID 158228991

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 69470593) is N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CNC(=O)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2.
What is the InChIKey of N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is XZGCONBLLFYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-21-15(23)13-11-12-7-4-2-3-5-8-14(12)22(16(13)24)10-6-9-17(18,19)20/h11H,2-10H2,1H3,(H,21,23).
What are the key properties of N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 69470593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).