3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide

C17H18N4O4S — CID 58720764

IUPAC3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide
SMILESO=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1cccnc1
InChIInChI=1S/C17H18N4O4S/c22-14(11-2-1-5-18-8-11)9-19-15(23)3-6-21-13-4-7-26-10-12(13)16(24)20-17(21)25/h1-2,5,8H,3-4,6-7,9-10H2,(H,19,23)(H,20,24,25)
InChIKeyKTKZSDKKALHVHD-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.11
Rot. Bonds6

About 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide

3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide (PubChem CID 58720764) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide
PubChem CID58720764
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide
SMILESO=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1cccnc1
InChIInChI=1S/C17H18N4O4S/c22-14(11-2-1-5-18-8-11)9-19-15(23)3-6-21-13-4-7-26-10-12(13)16(24)20-17(21)25/h1-2,5,8H,3-4,6-7,9-10H2,(H,19,23)(H,20,24,25)
InChIKeyKTKZSDKKALHVHD-UHFFFAOYSA-N
XLogP0.11
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(3-pyrimidin-5-ylphenyl)ethyl]propanamide
CID 58720724
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]propanamide
CID 58720734
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
N-[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide
CID 58720800
4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110631539
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide (CID 58720764) is 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide is O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1cccnc1.
What is the InChIKey of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide?
The InChIKey is KTKZSDKKALHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-14(11-2-1-5-18-8-11)9-19-15(23)3-6-21-13-4-7-26-10-12(13)16(24)20-17(21)25/h1-2,5,8H,3-4,6-7,9-10H2,(H,19,23)(H,20,24,25).
What are the key properties of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide?
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide has a molecular weight of 374.42 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 58720764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).