3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide

C18H23N3OS — CID 53185937

IUPAC3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccnc(N2CCCC2)c1)NCCc1cccs1
InChIInChI=1S/C18H23N3OS/c22-18(20-10-8-16-4-3-13-23-16)6-5-15-7-9-19-17(14-15)21-11-1-2-12-21/h3-4,7,9,13-14H,1-2,5-6,8,10-12H2,(H,20,22)
InChIKeyMDKNRBGUYZAKPF-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.03
Rot. Bonds7

About 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide

3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 53185937) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID53185937
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccnc(N2CCCC2)c1)NCCc1cccs1
InChIInChI=1S/C18H23N3OS/c22-18(20-10-8-16-4-3-13-23-16)6-5-15-7-9-19-17(14-15)21-11-1-2-12-21/h3-4,7,9,13-14H,1-2,5-6,8,10-12H2,(H,20,22)
InChIKeyMDKNRBGUYZAKPF-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
N-[2-(dimethylamino)ethyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185944
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766514
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186075
N-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185909
N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273250
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53352132
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide (CID 53185937) is 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1ccnc(N2CCCC2)c1)NCCc1cccs1.
What is the InChIKey of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is MDKNRBGUYZAKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-18(20-10-8-16-4-3-13-23-16)6-5-15-7-9-19-17(14-15)21-11-1-2-12-21/h3-4,7,9,13-14H,1-2,5-6,8,10-12H2,(H,20,22).
What are the key properties of 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 329.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 53185937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).