1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C20H21N5O5S — CID 166226309

IUPAC1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc4c(=O)[nH]c(=O)n(C)c4n3)cc2)S(=O)(=O)C1
InChIInChI=1S/C20H21N5O5S/c1-12-10-25(31(29,30)11-12)14-5-3-13(4-6-14)9-21-19(27)16-8-7-15-17(22-16)24(2)20(28)23-18(15)26/h3-8,12H,9-11H2,1-2H3,(H,21,27)(H,23,26,28)
InChIKeyLIQAMSVXXGJECX-UHFFFAOYSA-N
MW443.49 g/mol
LogP0.34
Rot. Bonds4

About 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 166226309) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID166226309
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC Name1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3ccc4c(=O)[nH]c(=O)n(C)c4n3)cc2)S(=O)(=O)C1
InChIInChI=1S/C20H21N5O5S/c1-12-10-25(31(29,30)11-12)14-5-3-13(4-6-14)9-21-19(27)16-8-7-15-17(22-16)24(2)20(28)23-18(15)26/h3-8,12H,9-11H2,1-2H3,(H,21,27)(H,23,26,28)
InChIKeyLIQAMSVXXGJECX-UHFFFAOYSA-N
XLogP0.34
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 136530628
N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47055040
1-methyl-7-[(3R)-3-methylmorpholine-4-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 37192691
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56808272
N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824193
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996629
1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823832
7-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 94103454
2-chloro-N-[(4-methoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833586
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298973
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 166226309) is 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is CC1CN(c2ccc(CNC(=O)c3ccc4c(=O)[nH]c(=O)n(C)c4n3)cc2)S(=O)(=O)C1.
What is the InChIKey of 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is LIQAMSVXXGJECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c1-12-10-25(31(29,30)11-12)14-5-3-13(4-6-14)9-21-19(27)16-8-7-15-17(22-16)24(2)20(28)23-18(15)26/h3-8,12H,9-11H2,1-2H3,(H,21,27)(H,23,26,28).
What are the key properties of 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166226309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).