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

C29H36ClN5O — CID 175299318

IUPACN-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCC3)C1
InChIInChI=1S/C29H35N5O.ClH/c30-22-13-15-34(18-22)28-23-8-4-5-9-25(23)32-26-11-10-20(16-24(26)28)21-12-14-31-27(17-21)33-29(35)19-6-2-1-3-7-19;/h10-12,14,16-17,19,22H,1-9,13,15,18,30H2,(H,31,33,35);1H/t22-;/m0./s1
InChIKeyMXDVNTHJOWDPSZ-FTBISJDPSA-N
MW506.09 g/mol
LogP5.65
Rot. Bonds4

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

N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 175299318) has the molecular formula C29H36ClN5O and a molecular weight of 506.09 g/mol. Its IUPAC name is N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
PubChem CID175299318
Molecular FormulaC29H36ClN5O
Molecular Weight506.09 g/mol
Exact Mass505.26
IUPAC NameN-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCC3)C1
InChIInChI=1S/C29H35N5O.ClH/c30-22-13-15-34(18-22)28-23-8-4-5-9-25(23)32-26-11-10-20(16-24(26)28)21-12-14-31-27(17-21)33-29(35)19-6-2-1-3-7-19;/h10-12,14,16-17,19,22H,1-9,13,15,18,30H2,(H,31,33,35);1H/t22-;/m0./s1
InChIKeyMXDVNTHJOWDPSZ-FTBISJDPSA-N
XLogP5.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.09
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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]cyclopropanecarboxamide;hydrochloride
CID 163409191
N-[4-[9-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 175379458
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]benzamide;hydrochloride
CID 175299332
(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175429815
1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175299384
(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
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219

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]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride (CID 175299318) is N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride is Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCC3)C1.
What is the InChIKey of N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is MXDVNTHJOWDPSZ-FTBISJDPSA-N. The full InChI is InChI=1S/C29H35N5O.ClH/c30-22-13-15-34(18-22)28-23-8-4-5-9-25(23)32-26-11-10-20(16-24(26)28)21-12-14-31-27(17-21)33-29(35)19-6-2-1-3-7-19;/h10-12,14,16-17,19,22H,1-9,13,15,18,30H2,(H,31,33,35);1H/t22-;/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]cyclohexanecarboxamide;hydrochloride?
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 506.09 g/mol, XLogP of 5.65, 4 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]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 175299318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).