N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C23H26N4O5S — CID 3339987

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1OC
InChIInChI=1S/C23H26N4O5S/c1-14-19-22(24-13-27(23(19)30)12-18(28)26-9-5-4-6-10-26)33-20(14)21(29)25-15-7-8-16(31-2)17(11-15)32-3/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,25,29)
InChIKeyGYCOGCRALPRHFG-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.05
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3339987) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3339987
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1OC
InChIInChI=1S/C23H26N4O5S/c1-14-19-22(24-13-27(23(19)30)12-18(28)26-9-5-4-6-10-26)33-20(14)21(29)25-15-7-8-16(31-2)17(11-15)32-3/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,25,29)
InChIKeyGYCOGCRALPRHFG-UHFFFAOYSA-N
XLogP3.05
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 3339987) is N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GYCOGCRALPRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-14-19-22(24-13-27(23(19)30)12-18(28)26-9-5-4-6-10-26)33-20(14)21(29)25-15-7-8-16(31-2)17(11-15)32-3/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,25,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3339987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).