N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide

C24H27F3N4O3 — CID 90353390

About N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide

N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 90353390) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
• PubChem CID: 90353390
• Molecular Formula: C24H27F3N4O3
• Molecular Weight: 476.50 g/mol
• Exact Mass: 476.20
• IUPAC Name: N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
• SMILES: Cc1cccnc1CN(C)C(=O)CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1
• InChI: InChI=1S/C24H27F3N4O3/c1-15-5-4-8-28-21(15)13-30(2)22(32)14-31-11-19-18(20(19)12-31)10-29-23(33)16-6-3-7-17(9-16)34-24(25,26)27/h3-9,18-20H,10-14H2,1-2H3,(H,29,33)
• InChIKey: MYEYRZJIEGKPQR-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?

The IUPAC name of N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide (CID 90353390) is N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide is Cc1cccnc1CN(C)C(=O)CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1.

What is the InChIKey of N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?

The InChIKey is MYEYRZJIEGKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-15-5-4-8-28-21(15)13-30(2)22(32)14-31-11-19-18(20(19)12-31)10-29-23(33)16-6-3-7-17(9-16)34-24(25,26)27/h3-9,18-20H,10-14H2,1-2H3,(H,29,33).

What are the key properties of N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?

N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 476.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90353390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).