methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C78H89F6N9O12 — CID 165035518

About methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 165035518) has the molecular formula C78H89F6N9O12 and a molecular weight of 1458.61 g/mol. Its IUPAC name is methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

• Compound Name: methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
• PubChem CID: 165035518
• Molecular Formula: C78H89F6N9O12
• Molecular Weight: 1458.61 g/mol
• Exact Mass: 1457.65
• IUPAC Name: methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
• SMILES: COC(=O)c1ccc(C=O)cn1.COC(=O)c1ccc(CN2CCC3(CC2)CC(N(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(N(C1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1
• InChI: InChI=1S/C27H30F3N3O4.C24H29N3O3.C19H23F3N2O2.C8H7NO3/c1-36-24(34)22-8-7-18(15-31-22)16-32-11-9-26(10-12-32)14-20(17-37-26)33(25(35)27(28,29)30)23-13-21(23)19-5-3-2-4-6-19;28-23(29)21-7-6-17(14-25-21)15-27-10-8-24(9-11-27)13-19(16-30-24)26-22-12-20(22)18-4-2-1-3-5-18;20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18;1-12-8(11)7-3-2-6(5-10)4-9-7/h2-8,15,20-21,23H,9-14,16-17H2,1H3;1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29);1-5,14-16,23H,6-12H2;2-5H,1H3/t20?,21-,23+;19?,20-,22+;14?,15-,16+;/m000./s1
• InChIKey: NHZAVRONVNXBQP-OKNUIYFESA-N
• XLogP: 10.51
• TPSA: 244.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.61
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

The IUPAC name of methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 165035518) is methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

What is the SMILES notation for methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

The canonical SMILES for methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is COC(=O)c1ccc(C=O)cn1.COC(=O)c1ccc(CN2CCC3(CC2)CC(N(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(N(C1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.

What is the InChIKey of methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

The InChIKey is NHZAVRONVNXBQP-OKNUIYFESA-N. The full InChI is InChI=1S/C27H30F3N3O4.C24H29N3O3.C19H23F3N2O2.C8H7NO3/c1-36-24(34)22-8-7-18(15-31-22)16-32-11-9-26(10-12-32)14-20(17-37-26)33(25(35)27(28,29)30)23-13-21(23)19-5-3-2-4-6-19;28-23(29)21-7-6-17(14-25-21)15-27-10-8-24(9-11-27)13-19(16-30-24)26-22-12-20(22)18-4-2-1-3-5-18;20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18;1-12-8(11)7-3-2-6(5-10)4-9-7/h2-8,15,20-21,23H,9-14,16-17H2,1H3;1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29);1-5,14-16,23H,6-12H2;2-5H,1H3/t20?,21-,23+;19?,20-,22+;14?,15-,16+;/m000./s1.

What are the key properties of methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 1458.61 g/mol, XLogP of 10.51, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-formylpyridine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 165035518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).