N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide

C24H27N5O — CID 175299307

About N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide

N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 175299307) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 175299307
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2ccc3nc4c(c(N5CC[C@H](N)C5)c3c2)CCCC4)ccn1
• InChI: InChI=1S/C24H27N5O/c1-15(30)27-23-13-17(8-10-26-23)16-6-7-22-20(12-16)24(29-11-9-18(25)14-29)19-4-2-3-5-21(19)28-22/h6-8,10,12-13,18H,2-5,9,11,14,25H2,1H3,(H,26,27,30)/t18-/m0/s1
• InChIKey: FERXOGWOPHGREJ-SFHVURJKSA-N
• XLogP: 3.67
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide (CID 175299307) is N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc3nc4c(c(N5CC[C@H](N)C5)c3c2)CCCC4)ccn1.

What is the InChIKey of N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is FERXOGWOPHGREJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15(30)27-23-13-17(8-10-26-23)16-6-7-22-20(12-16)24(29-11-9-18(25)14-29)19-4-2-3-5-21(19)28-22/h6-8,10,12-13,18H,2-5,9,11,14,25H2,1H3,(H,26,27,30)/t18-/m0/s1.

What are the key properties of N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 175299307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).