5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide

C27H32N4O — CID 177269126

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide (PubChem CID 177269126) 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-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
• PubChem CID: 177269126
• 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-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
• SMILES: CNc1ccc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccccc12
• InChI: InChI=1S/C27H32N4O/c1-18-9-10-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-11-12-25(28-2)22-8-6-5-7-21(22)24/h5-12,15,20,28H,13-14,16-17H2,1-4H3,(H,29,32)
• InChIKey: MYLJPDAFBKUHFF-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-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide (CID 177269126) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide.

What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide is CNc1ccc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccccc12.

What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

The InChIKey is MYLJPDAFBKUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18-9-10-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-11-12-25(28-2)22-8-6-5-7-21(22)24/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-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(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-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide is sourced from PubChem (CID 177269126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).