5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal

C32H33N5O2 — CID 177349379

About 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal

5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal (PubChem CID 177349379) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal.

Molecular Properties

• Compound Name: 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal
• PubChem CID: 177349379
• Molecular Formula: C32H33N5O2
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.26
• IUPAC Name: 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal
• SMILES: C=CC=O.Cc1nc(C(N)=O)cc2nc(-c3ccc(CN4CC5(CN(C)C5)C4)cc3)c(-c3ccccc3)cc12
• InChI: InChI=1S/C29H29N5O.C3H4O/c1-19-23-12-24(21-6-4-3-5-7-21)27(32-25(23)13-26(31-19)28(30)35)22-10-8-20(9-11-22)14-34-17-29(18-34)15-33(2)16-29;1-2-3-4/h3-13H,14-18H2,1-2H3,(H2,30,35);2-3H,1H2
• InChIKey: IYKRTWAGWHNXFQ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 92.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal?

The IUPAC name of 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal (CID 177349379) is 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal.

What is the SMILES notation for 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal?

The canonical SMILES for 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal is C=CC=O.Cc1nc(C(N)=O)cc2nc(-c3ccc(CN4CC5(CN(C)C5)C4)cc3)c(-c3ccccc3)cc12.

What is the InChIKey of 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal?

The InChIKey is IYKRTWAGWHNXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O.C3H4O/c1-19-23-12-24(21-6-4-3-5-7-21)27(32-25(23)13-26(31-19)28(30)35)22-10-8-20(9-11-22)14-34-17-29(18-34)15-33(2)16-29;1-2-3-4/h3-13H,14-18H2,1-2H3,(H2,30,35);2-3H,1H2.

What are the key properties of 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal?

5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal has a molecular weight of 519.65 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]phenyl]-3-phenyl-1,6-naphthyridine-7-carboxamide;prop-2-enal is sourced from PubChem (CID 177349379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).