4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide

C13H12N4O2S — CID 90764881

IUPAC4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)NCNC2=O
InChIInChI=1S/C13H12N4O2S/c18-11-9-4-10(20-13(9)17-7-16-11)12(19)15-6-8-2-1-3-14-5-8/h1-5,17H,6-7H2,(H,15,19)(H,16,18)
InChIKeyNJFXTGAAPFHBQG-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.19
Rot. Bonds3

About 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide

4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 90764881) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID90764881
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)NCNC2=O
InChIInChI=1S/C13H12N4O2S/c18-11-9-4-10(20-13(9)17-7-16-11)12(19)15-6-8-2-1-3-14-5-8/h1-5,17H,6-7H2,(H,15,19)(H,16,18)
InChIKeyNJFXTGAAPFHBQG-UHFFFAOYSA-N
XLogP1.19
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 90764881) is 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide is O=C(NCc1cccnc1)c1cc2c(s1)NCNC2=O.
What is the InChIKey of 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NJFXTGAAPFHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-11-9-4-10(20-13(9)17-7-16-11)12(19)15-6-8-2-1-3-14-5-8/h1-5,17H,6-7H2,(H,15,19)(H,16,18).
What are the key properties of 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 90764881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).