5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide

C₂₇H₃₂N₄O — CID 177269051

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide (PubChem CID 177269051) has the molecular formula C₂₇H₃₂N₄O and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
• PubChem CID: 177269051
• Molecular Formula: C₂₇H₃₂N₄O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
• SMILES: CNc1cccc2c(C3(NC(=O)c4cc(N5CC(N(C)C)C5)ccc4C)CC3)cccc12
• InChI: InChI=1S/C27H32N4O/c1-18-11-12-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-9-5-8-22-21(24)7-6-10-25(22)28-2/h5-12,15,20,28H,13-14,16-17H2,1-4H3,(H,29,32)
• InChIKey: VIROYRVJLMRLTQ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 47.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide (CID 177269051) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide.

What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide is CNc1cccc2c(C3(NC(=O)c4cc(N5CC(N(C)C)C5)ccc4C)CC3)cccc12.

What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

The InChIKey is VIROYRVJLMRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18-11-12-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-9-5-8-22-21(24)7-6-10-25(22)28-2/h5-12,15,20,28H,13-14,16-17H2,1-4H3,(H,29,32).

What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide is sourced from PubChem (CID 177269051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177269051 — identifiers, structure, computed properties (public domain)

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