N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide

C21H24N4O6 — CID 16840883

IUPACN-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide
SMILESCCc1cnc2c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O6/c1-7-11-10-22-18-15(20(27)25(3)21(28)24(18)2)16(11)23-19(26)12-8-13(29-4)17(31-6)14(9-12)30-5/h8-10H,7H2,1-6H3,(H,22,23,26)
InChIKeyZMOOYGQBDGWXOY-UHFFFAOYSA-N
MW428.45 g/mol
LogP1.47
Rot. Bonds6

About N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide

N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 16840883) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID16840883
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide
SMILESCCc1cnc2c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O6/c1-7-11-10-22-18-15(20(27)25(3)21(28)24(18)2)16(11)23-19(26)12-8-13(29-4)17(31-6)14(9-12)30-5/h8-10H,7H2,1-6H3,(H,22,23,26)
InChIKeyZMOOYGQBDGWXOY-UHFFFAOYSA-N
XLogP1.47
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide
CID 16841024
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16840940
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-4-nitrobenzamide
CID 16840904
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16840961
2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16840851
3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840715
5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845281
5-(3-acetylanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845344
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 16840994
5-(cycloheptylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845292
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841013
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-3,4,5-trimethoxybenzamide
CID 3054253

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide (CID 16840883) is N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide is CCc1cnc2c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is ZMOOYGQBDGWXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-7-11-10-22-18-15(20(27)25(3)21(28)24(18)2)16(11)23-19(26)12-8-13(29-4)17(31-6)14(9-12)30-5/h8-10H,7H2,1-6H3,(H,22,23,26).
What are the key properties of N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide?
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 428.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 16840883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).