N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

C20H23N5O5 — CID 42217376

IUPACN-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C20H23N5O5/c1-23-18-13(19(28)24(2)20(23)29)11-15(25(18)9-6-10-30-3)17(27)22-14-8-5-4-7-12(14)16(21)26/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,21,26)(H,22,27)
InChIKeyNWHJKBFAOMQOHX-UHFFFAOYSA-N
MW413.43 g/mol
LogP0.43
Rot. Bonds7

About N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42217376) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42217376
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C20H23N5O5/c1-23-18-13(19(28)24(2)20(23)29)11-15(25(18)9-6-10-30-3)17(27)22-14-8-5-4-7-12(14)16(21)26/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,21,26)(H,22,27)
InChIKeyNWHJKBFAOMQOHX-UHFFFAOYSA-N
XLogP0.43
TPSA130.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42209028
6-(2,3-dihydroindole-1-carbonyl)-7-(3-methoxypropyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42217397
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
N-(4-carbamoylphenyl)-6-(3-methoxypropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4905095
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7-(2-methoxyethyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175972
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
7-butyl-N-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217440
2-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide
CID 9399029
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217337
N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
CID 110762752

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42217376) is N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is COCCCn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NWHJKBFAOMQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-23-18-13(19(28)24(2)20(23)29)11-15(25(18)9-6-10-30-3)17(27)22-14-8-5-4-7-12(14)16(21)26/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,21,26)(H,22,27).
What are the key properties of N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42217376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).