3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C25H30N4O4S — CID 3579465

IUPAC3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc2ncn(CC(=O)N3CC(C)CC(C)C3)c(=O)c2c1C
InChIInChI=1S/C25H30N4O4S/c1-15-9-16(2)12-28(11-15)20(30)13-29-14-27-24-21(25(29)32)17(3)22(34-24)23(31)26-10-18-7-5-6-8-19(18)33-4/h5-8,14-16H,9-13H2,1-4H3,(H,26,31)
InChIKeySALVPXOBDSSRHV-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.21
Rot. Bonds6

About 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3579465) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3579465
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc2ncn(CC(=O)N3CC(C)CC(C)C3)c(=O)c2c1C
InChIInChI=1S/C25H30N4O4S/c1-15-9-16(2)12-28(11-15)20(30)13-29-14-27-24-21(25(29)32)17(3)22(34-24)23(31)26-10-18-7-5-6-8-19(18)33-4/h5-8,14-16H,9-13H2,1-4H3,(H,26,31)
InChIKeySALVPXOBDSSRHV-UHFFFAOYSA-N
XLogP3.21
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4654533
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 99735210
3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4248676
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3604620
ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 5203978
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(2-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3526239
N-(3-methoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3345881
N-(2,2-diethoxyethyl)-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46374566
2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 3669144
4-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20956833
2-[[3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]ethyl-dimethylazanium
CID 5077735
N-(2-methoxyphenyl)-5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 1182133

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 3579465) is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1CNC(=O)c1sc2ncn(CC(=O)N3CC(C)CC(C)C3)c(=O)c2c1C.
What is the InChIKey of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SALVPXOBDSSRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-15-9-16(2)12-28(11-15)20(30)13-29-14-27-24-21(25(29)32)17(3)22(34-24)23(31)26-10-18-7-5-6-8-19(18)33-4/h5-8,14-16H,9-13H2,1-4H3,(H,26,31).
What are the key properties of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3579465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).