N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C19H20N4O4 — CID 26841363

IUPACN-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccnc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1C)c(=O)n2C
InChIInChI=1S/C19H20N4O4/c1-11-5-6-12(2)13(9-11)21-15(24)10-23-18(25)16-14(27-4)7-8-20-17(16)22(3)19(23)26/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyNDUWIMHXTDWDJW-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.36
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 26841363) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID26841363
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccnc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1C)c(=O)n2C
InChIInChI=1S/C19H20N4O4/c1-11-5-6-12(2)13(9-11)21-15(24)10-23-18(25)16-14(27-4)7-8-20-17(16)22(3)19(23)26/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyNDUWIMHXTDWDJW-UHFFFAOYSA-N
XLogP1.36
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 26841363) is N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is COc1ccnc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1C)c(=O)n2C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is NDUWIMHXTDWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-5-6-12(2)13(9-11)21-15(24)10-23-18(25)16-14(27-4)7-8-20-17(16)22(3)19(23)26/h5-9H,10H2,1-4H3,(H,21,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 26841363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).