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

C21H23N5O4 — CID 37352007

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C
InChIInChI=1S/C21H23N5O4/c1-12-7-6-8-15(13(12)2)22-17(27)11-24(3)20(29)16-10-9-14-18(23-16)25(4)21(30)26(5)19(14)28/h6-10H,11H2,1-5H3,(H,22,27)
InChIKeyJNGMRANBYYFBOX-UHFFFAOYSA-N
MW409.45 g/mol
LogP0.96
Rot. Bonds4

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

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 37352007) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID37352007
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C
InChIInChI=1S/C21H23N5O4/c1-12-7-6-8-15(13(12)2)22-17(27)11-24(3)20(29)16-10-9-14-18(23-16)25(4)21(30)26(5)19(14)28/h6-10H,11H2,1-5H3,(H,22,27)
InChIKeyJNGMRANBYYFBOX-UHFFFAOYSA-N
XLogP0.96
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 37275470
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46589826
N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582206
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide
CID 8503577
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 23829410
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580510
4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 51217574

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 37352007) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is JNGMRANBYYFBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-12-7-6-8-15(13(12)2)22-17(27)11-24(3)20(29)16-10-9-14-18(23-16)25(4)21(30)26(5)19(14)28/h6-10H,11H2,1-5H3,(H,22,27).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 37352007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).