N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide

C29H29N7O4 — CID 89050520

About N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide

N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide (PubChem CID 89050520) has the molecular formula C29H29N7O4 and a molecular weight of 539.60 g/mol. Its IUPAC name is N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide
• PubChem CID: 89050520
• Molecular Formula: C29H29N7O4
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.23
• IUPAC Name: N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide
• SMILES: C[C@]1(c2cccnc2NC=O)Cc2cnc(NC(=O)CN3C(=O)C4(CCOCC4)N=C3c3ccccn3)cc2C1
• InChI: InChI=1S/C29H29N7O4/c1-28(21-5-4-10-31-25(21)33-18-37)14-19-13-23(32-16-20(19)15-28)34-24(38)17-36-26(22-6-2-3-9-30-22)35-29(27(36)39)7-11-40-12-8-29/h2-6,9-10,13,16,18H,7-8,11-12,14-15,17H2,1H3,(H,31,33,37)(H,32,34,38)/t28-/m1/s1
• InChIKey: GAONJIIINGBMAM-MUUNZHRXSA-N
• XLogP: 2.27
• TPSA: 138.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
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 N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

The IUPAC name of N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide (CID 89050520) is N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide.

What is the SMILES notation for N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

The canonical SMILES for N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide is C[C@]1(c2cccnc2NC=O)Cc2cnc(NC(=O)CN3C(=O)C4(CCOCC4)N=C3c3ccccn3)cc2C1.

What is the InChIKey of N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

The InChIKey is GAONJIIINGBMAM-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H29N7O4/c1-28(21-5-4-10-31-25(21)33-18-37)14-19-13-23(32-16-20(19)15-28)34-24(38)17-36-26(22-6-2-3-9-30-22)35-29(27(36)39)7-11-40-12-8-29/h2-6,9-10,13,16,18H,7-8,11-12,14-15,17H2,1H3,(H,31,33,37)(H,32,34,38)/t28-/m1/s1.

What are the key properties of N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide has a molecular weight of 539.60 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6R)-6-(2-formamido-3-pyridinyl)-6-methyl-5,7-dihydrocyclopenta[c]pyridin-3-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide is sourced from PubChem (CID 89050520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).