N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine

C17H23N3S — CID 43676363

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1cc(C(C)Nc2cccnc2N2CCCC2)c(C)s1
InChIInChI=1S/C17H23N3S/c1-12-11-15(14(3)21-12)13(2)19-16-7-6-8-18-17(16)20-9-4-5-10-20/h6-8,11,13,19H,4-5,9-10H2,1-3H3
InChIKeyAXKYNKUSDQKESE-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.53
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43676363) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43676363
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1cc(C(C)Nc2cccnc2N2CCCC2)c(C)s1
InChIInChI=1S/C17H23N3S/c1-12-11-15(14(3)21-12)13(2)19-16-7-6-8-18-17(16)20-9-4-5-10-20/h6-8,11,13,19H,4-5,9-10H2,1-3H3
InChIKeyAXKYNKUSDQKESE-UHFFFAOYSA-N
XLogP4.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine (CID 43676363) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine is Cc1cc(C(C)Nc2cccnc2N2CCCC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is AXKYNKUSDQKESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12-11-15(14(3)21-12)13(2)19-16-7-6-8-18-17(16)20-9-4-5-10-20/h6-8,11,13,19H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 301.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43676363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).