N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide

C25H26F3N5O2 — CID 175681737

IUPACN-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CC3CCC(C2)N3Cc2cnc3c(c2)CC(=O)C(C(F)(F)F)=C3C)cn1
InChIInChI=1S/C25H26F3N5O2/c1-14-22(25(26,27)28)21(34)8-16-7-15(9-31-23(14)16)11-33-18-3-4-19(33)13-32(12-18)17-5-6-20(30-10-17)24(35)29-2/h5-7,9-10,18-19H,3-4,8,11-13H2,1-2H3,(H,29,35)
InChIKeyQAPWQKNLFSOPBJ-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide

N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide (PubChem CID 175681737) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
PubChem CID175681737
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CC3CCC(C2)N3Cc2cnc3c(c2)CC(=O)C(C(F)(F)F)=C3C)cn1
InChIInChI=1S/C25H26F3N5O2/c1-14-22(25(26,27)28)21(34)8-16-7-15(9-31-23(14)16)11-33-18-3-4-19(33)13-32(12-18)17-5-6-20(30-10-17)24(35)29-2/h5-7,9-10,18-19H,3-4,8,11-13H2,1-2H3,(H,29,35)
InChIKeyQAPWQKNLFSOPBJ-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide (CID 175681737) is N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CC3CCC(C2)N3Cc2cnc3c(c2)CC(=O)C(C(F)(F)F)=C3C)cn1.
What is the InChIKey of N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
The InChIKey is QAPWQKNLFSOPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-14-22(25(26,27)28)21(34)8-16-7-15(9-31-23(14)16)11-33-18-3-4-19(33)13-32(12-18)17-5-6-20(30-10-17)24(35)29-2/h5-7,9-10,18-19H,3-4,8,11-13H2,1-2H3,(H,29,35).
What are the key properties of N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide?
N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[8-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175681737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).