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5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C22H24N4O4 — CID 154839354

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)cc1
InChIInChI=1S/C22H24N4O4/c1-12-5-7-14(8-6-12)18-15(4-3-9-30-18)11-23-20(27)16-10-13(2)17-19(24-16)25-22(29)26-21(17)28/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28,29)
InChIKeyFLUADHURFNJOII-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.13
Rot. Bonds4

About 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 154839354) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID154839354
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)cc1
InChIInChI=1S/C22H24N4O4/c1-12-5-7-14(8-6-12)18-15(4-3-9-30-18)11-23-20(27)16-10-13(2)17-19(24-16)25-22(29)26-21(17)28/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28,29)
InChIKeyFLUADHURFNJOII-UHFFFAOYSA-N
XLogP2.13
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 154839354) is 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1ccc(C2OCCCC2CNC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)cc1.
What is the InChIKey of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is FLUADHURFNJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-12-5-7-14(8-6-12)18-15(4-3-9-30-18)11-23-20(27)16-10-13(2)17-19(24-16)25-22(29)26-21(17)28/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,23,27)(H2,24,25,26,28,29).
What are the key properties of 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 154839354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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