2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide

C21H18N4O3S — CID 56725661

IUPAC2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1
InChIInChI=1S/C21H18N4O3S/c1-14-5-2-6-15(11-14)22-18(26)13-24-9-3-8-17-19(24)23-21(28)25(20(17)27)12-16-7-4-10-29-16/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyPQGYTIJRUBUPNN-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.57
Rot. Bonds5

About 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide

2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide (PubChem CID 56725661) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide
PubChem CID56725661
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1
InChIInChI=1S/C21H18N4O3S/c1-14-5-2-6-15(11-14)22-18(26)13-24-9-3-8-17-19(24)23-21(28)25(20(17)27)12-16-7-4-10-29-16/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyPQGYTIJRUBUPNN-UHFFFAOYSA-N
XLogP2.57
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methoxyphenyl)acetamide
CID 56725549
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56725526
N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 56725541
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
N-(3,5-dimethylphenyl)-2-[[2-oxo-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 30677703
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 53114491
2-[7,12-dioxo-8-(thiophen-2-ylmethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]-N-(3-fluorophenyl)acetamide
CID 53199496
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720543
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide (CID 56725661) is 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1.
What is the InChIKey of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is PQGYTIJRUBUPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-5-2-6-15(11-14)22-18(26)13-24-9-3-8-17-19(24)23-21(28)25(20(17)27)12-16-7-4-10-29-16/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide?
2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 406.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 56725661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).