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

C20H29N3OS — CID 21154040

IUPACN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine
SMILESCC(C)COCC(CN(c1ccccn1)c1cccs1)N1CCCC1
InChIInChI=1S/C20H29N3OS/c1-17(2)15-24-16-18(22-11-5-6-12-22)14-23(20-9-7-13-25-20)19-8-3-4-10-21-19/h3-4,7-10,13,17-18H,5-6,11-12,14-16H2,1-2H3
InChIKeyHOXLIUBUOBZDGN-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.42
Rot. Bonds9

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

N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine (PubChem CID 21154040) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine
PubChem CID21154040
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC NameN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine
SMILESCC(C)COCC(CN(c1ccccn1)c1cccs1)N1CCCC1
InChIInChI=1S/C20H29N3OS/c1-17(2)15-24-16-18(22-11-5-6-12-22)14-23(20-9-7-13-25-20)19-8-3-4-10-21-19/h3-4,7-10,13,17-18H,5-6,11-12,14-16H2,1-2H3
InChIKeyHOXLIUBUOBZDGN-UHFFFAOYSA-N
XLogP4.42
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine?
The IUPAC name of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine (CID 21154040) is N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine is CC(C)COCC(CN(c1ccccn1)c1cccs1)N1CCCC1.
What is the InChIKey of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine?
The InChIKey is HOXLIUBUOBZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-17(2)15-24-16-18(22-11-5-6-12-22)14-23(20-9-7-13-25-20)19-8-3-4-10-21-19/h3-4,7-10,13,17-18H,5-6,11-12,14-16H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine?
N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-thiophen-2-ylpyridin-2-amine has a molecular weight of 359.54 g/mol, XLogP of 4.42, 9 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-ylpyridin-2-amine is sourced from PubChem (CID 21154040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).