(4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C18H25F3N4O5 — CID 155862212

About (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

(4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155862212) has the molecular formula C18H25F3N4O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155862212
• Molecular Formula: C18H25F3N4O5
• Molecular Weight: 434.42 g/mol
• Exact Mass: 434.18
• IUPAC Name: (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)ncn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H24N4O3.C2HF3O2/c1-19(2)16(21)11-5-7-23-13-4-6-20(9-12(11)13)14-8-15(22-3)18-10-17-14;3-2(4,5)1(6)7/h8,10-13H,4-7,9H2,1-3H3;(H,6,7)/t11-,12-,13-;/m1./s1
• InChIKey: DFEYYZRIWPKZDN-NLPVPVDASA-N
• XLogP: 1.44
• TPSA: 105.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.42
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155862212) is (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)ncn1.O=C(O)C(F)(F)F.

What is the InChIKey of (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is DFEYYZRIWPKZDN-NLPVPVDASA-N. The full InChI is InChI=1S/C16H24N4O3.C2HF3O2/c1-19(2)16(21)11-5-7-23-13-4-6-20(9-12(11)13)14-8-15(22-3)18-10-17-14;3-2(4,5)1(6)7/h8,10-13H,4-7,9H2,1-3H3;(H,6,7)/t11-,12-,13-;/m1./s1.

What are the key properties of (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

(4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 434.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).