N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

C19H21ClN4O4 — CID 42209042

IUPACN-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C19H21ClN4O4/c1-11-5-6-12(9-14(11)20)21-16(25)15-10-13-17(24(15)7-8-28-4)22(2)19(27)23(3)18(13)26/h5-6,9-10H,7-8H2,1-4H3,(H,21,25)
InChIKeyOVCFONYQRCPIHY-UHFFFAOYSA-N
MW404.85 g/mol
LogP1.90
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42209042) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42209042
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C19H21ClN4O4/c1-11-5-6-12(9-14(11)20)21-16(25)15-10-13-17(24(15)7-8-28-4)22(2)19(27)23(3)18(13)26/h5-6,9-10H,7-8H2,1-4H3,(H,21,25)
InChIKeyOVCFONYQRCPIHY-UHFFFAOYSA-N
XLogP1.90
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217376
N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134407
7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175974
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
CID 109015255
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
6-(2,3-dihydroindole-1-carbonyl)-7-(3-methoxypropyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42217397
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841348

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42209042) is N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is COCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OVCFONYQRCPIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-11-5-6-12(9-14(11)20)21-16(25)15-10-13-17(24(15)7-8-28-4)22(2)19(27)23(3)18(13)26/h5-6,9-10H,7-8H2,1-4H3,(H,21,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42209042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).