6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C18H23F3N4O5 — CID 167808742

About 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167808742) has the molecular formula C18H23F3N4O5 and a molecular weight of 432.40 g/mol. Its IUPAC name is 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 167808742
• Molecular Formula: C18H23F3N4O5
• Molecular Weight: 432.40 g/mol
• Exact Mass: 432.16
• IUPAC Name: 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CNc1ccc(C(=O)NCC2CC3(CCNCC3)C(=O)O2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H22N4O3.C2HF3O2/c1-17-13-3-2-11(9-19-13)14(21)20-10-12-8-16(15(22)23-12)4-6-18-7-5-16;3-2(4,5)1(6)7/h2-3,9,12,18H,4-8,10H2,1H3,(H,17,19)(H,20,21);(H,6,7)
• InChIKey: IAOIHLKOMGZWCP-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 129.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.40
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 167808742) is 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CNc1ccc(C(=O)NCC2CC3(CCNCC3)C(=O)O2)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is IAOIHLKOMGZWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.C2HF3O2/c1-17-13-3-2-11(9-19-13)14(21)20-10-12-8-16(15(22)23-12)4-6-18-7-5-16;3-2(4,5)1(6)7/h2-3,9,12,18H,4-8,10H2,1H3,(H,17,19)(H,20,21);(H,6,7).

What are the key properties of 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167808742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).