1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide

C26H29N5O — CID 175299384

About 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide

1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 175299384) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 175299384
• Molecular Formula: C26H29N5O
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.24
• IUPAC Name: 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: NC(=O)C1(c2cc(-c3ccc4nc5c(c(N6CC[C@@H](N)C6)c4c3)CCCC5)ccn2)CC1
• InChI: InChI=1S/C26H29N5O/c27-18-8-12-31(15-18)24-19-3-1-2-4-21(19)30-22-6-5-16(13-20(22)24)17-7-11-29-23(14-17)26(9-10-26)25(28)32/h5-7,11,13-14,18H,1-4,8-10,12,15,27H2,(H2,28,32)/t18-/m1/s1
• InChIKey: AMSLGTQURODJJC-GOSISDBHSA-N
• XLogP: 3.23
• TPSA: 98.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 175299384) is 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide is NC(=O)C1(c2cc(-c3ccc4nc5c(c(N6CC[C@@H](N)C6)c4c3)CCCC5)ccn2)CC1.

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

The InChIKey is AMSLGTQURODJJC-GOSISDBHSA-N. The full InChI is InChI=1S/C26H29N5O/c27-18-8-12-31(15-18)24-19-3-1-2-4-21(19)30-22-6-5-16(13-20(22)24)17-7-11-29-23(14-17)26(9-10-26)25(28)32/h5-7,11,13-14,18H,1-4,8-10,12,15,27H2,(H2,28,32)/t18-/m1/s1.

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

1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175299384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).