N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

C21H31N3OS — CID 3062730

IUPACN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)COCC(CN(Cc1cccs1)c1ccccn1)N1CCCC1
InChIInChI=1S/C21H31N3OS/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKeyTWPUCFIMMXOAFE-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.29
Rot. Bonds10

About N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 3062730) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID3062730
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC NameN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)COCC(CN(Cc1cccs1)c1ccccn1)N1CCCC1
InChIInChI=1S/C21H31N3OS/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKeyTWPUCFIMMXOAFE-UHFFFAOYSA-N
XLogP4.29
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methapyrilene
CID 4098
Thenyldiamine
CID 7066
Methapyrilene Hydrochloride
CID 8667
Thenyldiamine Hydrochloride
CID 24180707
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3923344
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide
CID 5351669
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 71914446
2-Pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118745590
10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746212
2-methyl-4-[[4-(oxolan-3-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 118747009

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 3062730) is N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is CC(C)COCC(CN(Cc1cccs1)c1ccccn1)N1CCCC1.
What is the InChIKey of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is TWPUCFIMMXOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 373.57 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 3062730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).