N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine

C22H26N4S — CID 75261221

IUPACN-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine
SMILESCc1ccc(CN(Cc2ccncc2)CC2CNNC2c2cccs2)cc1
InChIInChI=1S/C22H26N4S/c1-17-4-6-18(7-5-17)14-26(15-19-8-10-23-11-9-19)16-20-13-24-25-22(20)21-3-2-12-27-21/h2-12,20,22,24-25H,13-16H2,1H3
InChIKeySWSFLJGJTLRWRO-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.92
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine

N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine (PubChem CID 75261221) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine
PubChem CID75261221
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC NameN-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine
SMILESCc1ccc(CN(Cc2ccncc2)CC2CNNC2c2cccs2)cc1
InChIInChI=1S/C22H26N4S/c1-17-4-6-18(7-5-17)14-26(15-19-8-10-23-11-9-19)16-20-13-24-25-22(20)21-3-2-12-27-21/h2-12,20,22,24-25H,13-16H2,1H3
InChIKeySWSFLJGJTLRWRO-UHFFFAOYSA-N
XLogP3.92
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
CID 75259366
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazolidin-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 75259038
N-[(2-ethylcyclopropyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 143613245
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
N-[(4-methylphenyl)methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 141216589
2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 73305918
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
N,N-dimethylmethanamine;4-methylpyridine
CID 22155636
1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
CID 74810972
ethane;4-methylpyridine
CID 54305436

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine (CID 75261221) is N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine is Cc1ccc(CN(Cc2ccncc2)CC2CNNC2c2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine?
The InChIKey is SWSFLJGJTLRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-17-4-6-18(7-5-17)14-26(15-19-8-10-23-11-9-19)16-20-13-24-25-22(20)21-3-2-12-27-21/h2-12,20,22,24-25H,13-16H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine?
N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine has a molecular weight of 378.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine is sourced from PubChem (CID 75261221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).