formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide

C23H36N4O6 — CID 154919234

About formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide

formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide (PubChem CID 154919234) has the molecular formula C23H36N4O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide
• PubChem CID: 154919234
• Molecular Formula: C23H36N4O6
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.26
• IUPAC Name: formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide
• SMILES: C[C@@]1(NC(=O)c2ccccn2)CCOC2(CCN(CCN3CCOCC3)CC2)[C@H]1O.O=CO
• InChI: InChI=1S/C22H34N4O4.CH2O2/c1-21(24-19(27)18-4-2-3-8-23-18)7-15-30-22(20(21)28)5-9-25(10-6-22)11-12-26-13-16-29-17-14-26;2-1-3/h2-4,8,20,28H,5-7,9-17H2,1H3,(H,24,27);1H,(H,2,3)/t20-,21+;/m0./s1
• InChIKey: KAEQAVKDZYYBNO-JUDYQFGCSA-N
• XLogP: 0.22
• TPSA: 124.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide?

The IUPAC name of formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide (CID 154919234) is formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide?

The canonical SMILES for formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide is C[C@@]1(NC(=O)c2ccccn2)CCOC2(CCN(CCN3CCOCC3)CC2)[C@H]1O.O=CO.

What is the InChIKey of formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide?

The InChIKey is KAEQAVKDZYYBNO-JUDYQFGCSA-N. The full InChI is InChI=1S/C22H34N4O4.CH2O2/c1-21(24-19(27)18-4-2-3-8-23-18)7-15-30-22(20(21)28)5-9-25(10-6-22)11-12-26-13-16-29-17-14-26;2-1-3/h2-4,8,20,28H,5-7,9-17H2,1H3,(H,24,27);1H,(H,2,3)/t20-,21+;/m0./s1.

What are the key properties of formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide?

formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-morpholin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154919234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).