5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide

C24H27N5O — CID 177268830

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide (PubChem CID 177268830) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
• PubChem CID: 177268830
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
• SMILES: Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3cnccc23)CC1
• InChI: InChI=1S/C24H27N5O/c1-16-4-5-17(29-14-18(15-29)28(2)3)12-20(16)23(30)27-24(8-9-24)21-7-11-26-22-13-25-10-6-19(21)22/h4-7,10-13,18H,8-9,14-15H2,1-3H3,(H,27,30)
• InChIKey: MNFITLNCCFRALT-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide?

The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide (CID 177268830) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide.

What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide?

The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccnc3cnccc23)CC1.

What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide?

The InChIKey is MNFITLNCCFRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16-4-5-17(29-14-18(15-29)28(2)3)12-20(16)23(30)27-24(8-9-24)21-7-11-26-22-13-25-10-6-19(21)22/h4-7,10-13,18H,8-9,14-15H2,1-3H3,(H,27,30).

What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide?

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide is sourced from PubChem (CID 177268830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).