N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide

C20H23N4O6+ — CID 74512669

IUPACN-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
SMILESCOC1=C(C)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C(=O)C12
InChIInChI=1S/C20H22N4O6/c1-11-9-21-18-16(17(11)30-5)19(26)24(20(27)23(18)2)10-15(25)22-13-7-6-12(28-3)8-14(13)29-4/h6-9,16H,10H2,1-5H3/p+1
InChIKeyQSVGAOMWQYQLKQ-UHFFFAOYSA-O
MW415.43 g/mol
LogP1.27
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide (PubChem CID 74512669) has the molecular formula C20H23N4O6+ and a molecular weight of 415.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
PubChem CID74512669
Molecular FormulaC20H23N4O6+
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
SMILESCOC1=C(C)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C(=O)C12
InChIInChI=1S/C20H22N4O6/c1-11-9-21-18-16(17(11)30-5)19(26)24(20(27)23(18)2)10-15(25)22-13-7-6-12(28-3)8-14(13)29-4/h6-9,16H,10H2,1-5H3/p+1
InChIKeyQSVGAOMWQYQLKQ-UHFFFAOYSA-O
XLogP1.27
TPSA109.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 2148321
N-(2,4-dimethoxyphenyl)-2-[(7-ethyl-1,3-dimethyl-2,4-dioxo-4aH-pyrimido[4,5-d]pyrimidin-1-ium-5-yl)sulfanyl]acetamide
CID 73450436
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110831550
N-(2,4-dimethoxyphenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetamide
CID 3850668
N-(2,4-dimethoxyphenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98159653
N-(2,4-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878626
N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 5058844
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831814
N-(2,4-dimethoxyphenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095528
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide (CID 74512669) is N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide is COC1=C(C)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C(=O)C12.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide?
The InChIKey is QSVGAOMWQYQLKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N4O6/c1-11-9-21-18-16(17(11)30-5)19(26)24(20(27)23(18)2)10-15(25)22-13-7-6-12(28-3)8-14(13)29-4/h6-9,16H,10H2,1-5H3/p+1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide has a molecular weight of 415.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide is sourced from PubChem (CID 74512669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).