4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

C20H16N4O2S — CID 137223319

IUPAC4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C20H16N4O2S/c25-19(22-11-9-13-6-2-1-3-7-13)14-12-27-17-16(14)23-18(24-20(17)26)15-8-4-5-10-21-15/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24,26)
InChIKeyURSZKDZJSFFKKY-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.02
Rot. Bonds5

About 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 137223319) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID137223319
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C20H16N4O2S/c25-19(22-11-9-13-6-2-1-3-7-13)14-12-27-17-16(14)23-18(24-20(17)26)15-8-4-5-10-21-15/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24,26)
InChIKeyURSZKDZJSFFKKY-UHFFFAOYSA-N
XLogP3.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
CID 166559533
2-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetaldehyde
CID 137429876
3-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]propanal
CID 142506495
7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429778
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157436245
7-piperidin-1-ium-4-yl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 147185081
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789
7-[2-(2-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429579
7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159869922
4-amino-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159200675
7-[3-(3-chlorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429799
5-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136599306

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 137223319) is 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is O=C(NCCc1ccccc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is URSZKDZJSFFKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-19(22-11-9-13-6-2-1-3-7-13)14-12-27-17-16(14)23-18(24-20(17)26)15-8-4-5-10-21-15/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24,26).
What are the key properties of 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 137223319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).