4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide

C28H37F3N4O4 — CID 169126709

IUPAC4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
SMILESCO[C@@H]1CN(C)CC[C@H]1Nc1cc(=O)n(C2CCOCC2)cc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1C
InChIInChI=1S/C28H37F3N4O4/c1-17-20(6-5-7-22(17)28(29,30)31)18(2)32-27(37)21-15-35(19-9-12-39-13-10-19)26(36)14-24(21)33-23-8-11-34(3)16-25(23)38-4/h5-7,14-15,18-19,23,25,33H,8-13,16H2,1-4H3,(H,32,37)/t18-,23-,25-/m1/s1
InChIKeyYRCIUIBOXMXCPM-DVKBMCPXSA-N
MW550.62 g/mol
LogP4.15
Rot. Bonds7

About 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide

4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide (PubChem CID 169126709) has the molecular formula C28H37F3N4O4 and a molecular weight of 550.62 g/mol. Its IUPAC name is 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
PubChem CID169126709
Molecular FormulaC28H37F3N4O4
Molecular Weight550.62 g/mol
Exact Mass550.28
IUPAC Name4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
SMILESCO[C@@H]1CN(C)CC[C@H]1Nc1cc(=O)n(C2CCOCC2)cc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1C
InChIInChI=1S/C28H37F3N4O4/c1-17-20(6-5-7-22(17)28(29,30)31)18(2)32-27(37)21-15-35(19-9-12-39-13-10-19)26(36)14-24(21)33-23-8-11-34(3)16-25(23)38-4/h5-7,14-15,18-19,23,25,33H,8-13,16H2,1-4H3,(H,32,37)/t18-,23-,25-/m1/s1
InChIKeyYRCIUIBOXMXCPM-DVKBMCPXSA-N
XLogP4.15
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide (CID 169126709) is 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide is CO[C@@H]1CN(C)CC[C@H]1Nc1cc(=O)n(C2CCOCC2)cc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1C.
What is the InChIKey of 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide?
The InChIKey is YRCIUIBOXMXCPM-DVKBMCPXSA-N. The full InChI is InChI=1S/C28H37F3N4O4/c1-17-20(6-5-7-22(17)28(29,30)31)18(2)32-27(37)21-15-35(19-9-12-39-13-10-19)26(36)14-24(21)33-23-8-11-34(3)16-25(23)38-4/h5-7,14-15,18-19,23,25,33H,8-13,16H2,1-4H3,(H,32,37)/t18-,23-,25-/m1/s1.
What are the key properties of 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide?
4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4R)-3-methoxy-1-methylpiperidin-4-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).