N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C20H21N5O5 — CID 46589826

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1
InChIInChI=1S/C20H21N5O5/c1-23(11-16(26)21-12-6-5-7-13(10-12)30-4)19(28)15-9-8-14-17(22-15)24(2)20(29)25(3)18(14)27/h5-10H,11H2,1-4H3,(H,21,26)
InChIKeyHJNLZYUDZPBJSS-UHFFFAOYSA-N
MW411.42 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 46589826) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID46589826
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1
InChIInChI=1S/C20H21N5O5/c1-23(11-16(26)21-12-6-5-7-13(10-12)30-4)19(28)15-9-8-14-17(22-15)24(2)20(29)25(3)18(14)27/h5-10H,11H2,1-4H3,(H,21,26)
InChIKeyHJNLZYUDZPBJSS-UHFFFAOYSA-N
XLogP0.35
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37352007
N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582206
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9418729
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N'-[2-(4-methoxyanilino)acetyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbohydrazide
CID 55596113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 46589826) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HJNLZYUDZPBJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-23(11-16(26)21-12-6-5-7-13(10-12)30-4)19(28)15-9-8-14-17(22-15)24(2)20(29)25(3)18(14)27/h5-10H,11H2,1-4H3,(H,21,26).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 46589826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).