N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

C15H14N4O3S — CID 135987692

IUPACN-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C15H14N4O3S/c1-18(13(21)9-19-6-3-2-4-12(19)20)8-11-16-10-5-7-23-14(10)15(22)17-11/h2-7H,8-9H2,1H3,(H,16,17,22)
InChIKeyGTMNHMGSUVFZSB-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.80
Rot. Bonds4

About N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 135987692) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID135987692
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C15H14N4O3S/c1-18(13(21)9-19-6-3-2-4-12(19)20)8-11-16-10-5-7-23-14(10)15(22)17-11/h2-7H,8-9H2,1H3,(H,16,17,22)
InChIKeyGTMNHMGSUVFZSB-UHFFFAOYSA-N
XLogP0.80
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
10-oxo-N-(thien-2-ylmethyl)-10H-pyrido[1,2-a]thieno[3,2-d]pyrimidine-5-carboxamide
CID 3374252
Ethyl 4-(2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-12-carbonyl)piperazine-1-carboxylate
CID 5308363
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 18566187
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 7217021
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 18566205
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]pentanamide
CID 54757741

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (CID 135987692) is N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cn1ccccc1=O.
What is the InChIKey of N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is GTMNHMGSUVFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-18(13(21)9-19-6-3-2-4-12(19)20)8-11-16-10-5-7-23-14(10)15(22)17-11/h2-7H,8-9H2,1H3,(H,16,17,22).
What are the key properties of N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 135987692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).