1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide

C22H25N5O4 — CID 37275470

IUPAC1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C22H25N5O4/c1-5-12-27(13-18(28)23-16-9-7-6-8-14(16)2)21(30)17-11-10-15-19(24-17)25(3)22(31)26(4)20(15)29/h6-11H,5,12-13H2,1-4H3,(H,23,28)
InChIKeyDBVIEQXTWNYZKV-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.43
Rot. Bonds6

About 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 37275470) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID37275470
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C22H25N5O4/c1-5-12-27(13-18(28)23-16-9-7-6-8-14(16)2)21(30)17-11-10-15-19(24-17)25(3)22(31)26(4)20(15)29/h6-11H,5,12-13H2,1-4H3,(H,23,28)
InChIKeyDBVIEQXTWNYZKV-UHFFFAOYSA-N
XLogP1.43
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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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
3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
CID 60504091
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 38488519
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 24524251
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46589826
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 24980012
2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 37275507

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide (CID 37275470) is 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is DBVIEQXTWNYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-5-12-27(13-18(28)23-16-9-7-6-8-14(16)2)21(30)17-11-10-15-19(24-17)25(3)22(31)26(4)20(15)29/h6-11H,5,12-13H2,1-4H3,(H,23,28).
What are the key properties of 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 37275470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).