2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide

C22H23N3O3S — CID 11189049

IUPAC2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Oc2ccc(OCc3ccsc3)cc2)nc1
InChIInChI=1S/C22H23N3O3S/c26-21(14-25-10-1-2-11-25)24-18-3-8-22(23-13-18)28-20-6-4-19(5-7-20)27-15-17-9-12-29-16-17/h3-9,12-13,16H,1-2,10-11,14-15H2,(H,24,26)
InChIKeyLPPGQSWEKRWQSD-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.55
Rot. Bonds8

About 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide

2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide (PubChem CID 11189049) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide
PubChem CID11189049
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Oc2ccc(OCc3ccsc3)cc2)nc1
InChIInChI=1S/C22H23N3O3S/c26-21(14-25-10-1-2-11-25)24-18-3-8-22(23-13-18)28-20-6-4-19(5-7-20)27-15-17-9-12-29-16-17/h3-9,12-13,16H,1-2,10-11,14-15H2,(H,24,26)
InChIKeyLPPGQSWEKRWQSD-UHFFFAOYSA-N
XLogP4.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide (CID 11189049) is 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide is O=C(CN1CCCC1)Nc1ccc(Oc2ccc(OCc3ccsc3)cc2)nc1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide?
The InChIKey is LPPGQSWEKRWQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-21(14-25-10-1-2-11-25)24-18-3-8-22(23-13-18)28-20-6-4-19(5-7-20)27-15-17-9-12-29-16-17/h3-9,12-13,16H,1-2,10-11,14-15H2,(H,24,26).
What are the key properties of 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide?
2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 11189049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).