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

C19H27F3N2O2 — CID 59718844

IUPAC2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2
InChIInChI=1S/C19H27F3N2O2/c1-13(2)23-17(25)15-12-14-8-5-3-4-6-9-16(14)24(18(15)26)11-7-10-19(20,21)22/h12-13H,3-11H2,1-2H3,(H,23,25)
InChIKeyDDMHPHVNMUYOQJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.99
Rot. Bonds5

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

2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718844) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718844
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2
InChIInChI=1S/C19H27F3N2O2/c1-13(2)23-17(25)15-12-14-8-5-3-4-6-9-16(14)24(18(15)26)11-7-10-19(20,21)22/h12-13H,3-11H2,1-2H3,(H,23,25)
InChIKeyDDMHPHVNMUYOQJ-UHFFFAOYSA-N
XLogP3.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718844) is 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)NC(=O)c1cc2c(n(CCCC(F)(F)F)c1=O)CCCCCC2.
What is the InChIKey of 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is DDMHPHVNMUYOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-13(2)23-17(25)15-12-14-8-5-3-4-6-9-16(14)24(18(15)26)11-7-10-19(20,21)22/h12-13H,3-11H2,1-2H3,(H,23,25).
What are the key properties of 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).