2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

C19H15N5O2S — CID 137429447

IUPAC2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
SMILESO=C(COCc1ccncc1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C19H15N5O2S/c25-16(12-26-11-13-4-8-20-9-5-13)22-17-14-6-10-27-19(14)24-18(23-17)15-3-1-2-7-21-15/h1-10H,11-12H2,(H,22,23,24,25)
InChIKeyWMFSOMOXIIFGBZ-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.30
Rot. Bonds6

About 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 137429447) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
PubChem CID137429447
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
SMILESO=C(COCc1ccncc1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C19H15N5O2S/c25-16(12-26-11-13-4-8-20-9-5-13)22-17-14-6-10-27-19(14)24-18(23-17)15-3-1-2-7-21-15/h1-10H,11-12H2,(H,22,23,24,25)
InChIKeyWMFSOMOXIIFGBZ-UHFFFAOYSA-N
XLogP3.30
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (CID 137429447) is 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is O=C(COCc1ccncc1)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is WMFSOMOXIIFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-16(12-26-11-13-4-8-20-9-5-13)22-17-14-6-10-27-19(14)24-18(23-17)15-3-1-2-7-21-15/h1-10H,11-12H2,(H,22,23,24,25).
What are the key properties of 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 137429447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).