4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C13H10N4O2S — CID 141129830

IUPAC4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C13H10N4O2S/c18-11-9-3-6-20-13(9)17-10(16-11)12(19)15-7-8-1-4-14-5-2-8/h1-6H,7H2,(H,15,19)(H,16,17,18)
InChIKeyOBJIFKBOSHLWGZ-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.31
Rot. Bonds3

About 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide

4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 141129830) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID141129830
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C13H10N4O2S/c18-11-9-3-6-20-13(9)17-10(16-11)12(19)15-7-8-1-4-14-5-2-8/h1-6H,7H2,(H,15,19)(H,16,17,18)
InChIKeyOBJIFKBOSHLWGZ-UHFFFAOYSA-N
XLogP1.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 71068430
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-methyl-4-[(E)-2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)prop-1-enyl]benzamide
CID 99819506
4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 73334355
4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63107423
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
CID 51450902
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 91403681

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 141129830) is 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide is O=C(NCc1ccncc1)c1nc2sccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is OBJIFKBOSHLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-11-9-3-6-20-13(9)17-10(16-11)12(19)15-7-8-1-4-14-5-2-8/h1-6H,7H2,(H,15,19)(H,16,17,18).
What are the key properties of 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 141129830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).