N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide

C17H22N4O5S — CID 55582930

IUPACN-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N4O5S/c1-4-8-21(11-7-9-27(25,26)10-11)16(23)13-6-5-12-14(18-13)19(2)17(24)20(3)15(12)22/h5-6,11H,4,7-10H2,1-3H3
InChIKeyHZGNQWKEDTWWNQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP-0.33
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide

N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55582930) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55582930
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N4O5S/c1-4-8-21(11-7-9-27(25,26)10-11)16(23)13-6-5-12-14(18-13)19(2)17(24)20(3)15(12)22/h5-6,11H,4,7-10H2,1-3H3
InChIKeyHZGNQWKEDTWWNQ-UHFFFAOYSA-N
XLogP-0.33
TPSA111.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119179508
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 25324580
6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51230896
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrazol-1-ylbenzamide
CID 78798903
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylpropanamide
CID 99645243
1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 37275470
5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylpyridine-3-carboxamide
CID 52892977
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 5012247
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 78771506

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide (CID 55582930) is N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide is CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HZGNQWKEDTWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-4-8-21(11-7-9-27(25,26)10-11)16(23)13-6-5-12-14(18-13)19(2)17(24)20(3)15(12)22/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 394.45 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55582930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).