(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine

C22H24N4 — CID 175429815

IUPAC(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2c3c(nc4ccc(-c5ccncc5)cc24)CCCC3)C1
InChIInChI=1S/C22H24N4/c23-17-9-12-26(14-17)22-18-3-1-2-4-20(18)25-21-6-5-16(13-19(21)22)15-7-10-24-11-8-15/h5-8,10-11,13,17H,1-4,9,12,14,23H2/t17-/m0/s1
InChIKeyCCCKNXABNZJXAR-KRWDZBQOSA-N
MW344.46 g/mol
LogP3.71
Rot. Bonds2

About (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine

(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine (PubChem CID 175429815) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
PubChem CID175429815
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2c3c(nc4ccc(-c5ccncc5)cc24)CCCC3)C1
InChIInChI=1S/C22H24N4/c23-17-9-12-26(14-17)22-18-3-1-2-4-20(18)25-21-6-5-16(13-19(21)22)15-7-10-24-11-8-15/h5-8,10-11,13,17H,1-4,9,12,14,23H2/t17-/m0/s1
InChIKeyCCCKNXABNZJXAR-KRWDZBQOSA-N
XLogP3.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175429789
1-(7-pyridin-3-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175776998
1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175299384
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide
CID 175299307
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 163409191
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 175474511
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175299318
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175474518
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]benzamide;hydrochloride
CID 175299332
N-[4-[9-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 175379458
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine (CID 175429815) is (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine is N[C@H]1CCN(c2c3c(nc4ccc(-c5ccncc5)cc24)CCCC3)C1.
What is the InChIKey of (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
The InChIKey is CCCKNXABNZJXAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4/c23-17-9-12-26(14-17)22-18-3-1-2-4-20(18)25-21-6-5-16(13-19(21)22)15-7-10-24-11-8-15/h5-8,10-11,13,17H,1-4,9,12,14,23H2/t17-/m0/s1.
What are the key properties of (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine is sourced from PubChem (CID 175429815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).