2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride

C25H31ClN4O — CID 11604570

IUPAC2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
SMILESCN(C)C1(c2ccccn2)CCC(=CC(=O)NCCc2c[nH]c3ccccc23)CC1.Cl
InChIInChI=1S/C25H30N4O.ClH/c1-29(2)25(23-9-5-6-15-26-23)13-10-19(11-14-25)17-24(30)27-16-12-20-18-28-22-8-4-3-7-21(20)22;/h3-9,15,17-18,28H,10-14,16H2,1-2H3,(H,27,30);1H/b19-17-;
InChIKeyVOYLFEWMTNNWFF-HGMLFDQWSA-N
MW439.00 g/mol
LogP4.60
Rot. Bonds6

About 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride

2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride (PubChem CID 11604570) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
PubChem CID11604570
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC Name2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
SMILESCN(C)C1(c2ccccn2)CCC(=CC(=O)NCCc2c[nH]c3ccccc23)CC1.Cl
InChIInChI=1S/C25H30N4O.ClH/c1-29(2)25(23-9-5-6-15-26-23)13-10-19(11-14-25)17-24(30)27-16-12-20-18-28-22-8-4-3-7-21(20)22;/h3-9,15,17-18,28H,10-14,16H2,1-2H3,(H,27,30);1H/b19-17-;
InChIKeyVOYLFEWMTNNWFF-HGMLFDQWSA-N
XLogP4.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[2-(dimethylamino)-4-phenylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 67386596
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
CID 47101909
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-1-sulfanylurea
CID 87738701
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride (CID 11604570) is 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride is CN(C)C1(c2ccccn2)CCC(=CC(=O)NCCc2c[nH]c3ccccc23)CC1.Cl.
What is the InChIKey of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride?
The InChIKey is VOYLFEWMTNNWFF-HGMLFDQWSA-N. The full InChI is InChI=1S/C25H30N4O.ClH/c1-29(2)25(23-9-5-6-15-26-23)13-10-19(11-14-25)17-24(30)27-16-12-20-18-28-22-8-4-3-7-21(20)22;/h3-9,15,17-18,28H,10-14,16H2,1-2H3,(H,27,30);1H/b19-17-;.
What are the key properties of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride?
2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride has a molecular weight of 439.00 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 11604570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).