7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C24H24N4O3 — CID 42217337

IUPAC7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-16(18-12-8-5-9-13-18)25-21(29)20-14-19-22(26(2)24(31)27(3)23(19)30)28(20)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,25,29)/t16-/m1/s1
InChIKeyQXDNEZJNGPLZJF-MRXNPFEDSA-N
MW416.48 g/mol
LogP2.58
Rot. Bonds5

About 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42217337) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42217337
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-16(18-12-8-5-9-13-18)25-21(29)20-14-19-22(26(2)24(31)27(3)23(19)30)28(20)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,25,29)/t16-/m1/s1
InChIKeyQXDNEZJNGPLZJF-MRXNPFEDSA-N
XLogP2.58
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
N-[(1R)-4-acetylcyclohexa-2,4-dien-1-yl]-7-benzyl-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217344
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-3-bromo-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040335
4-benzyl-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159027
1,3,7-trimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 93068970
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46006032
4-benzyl-2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159132
4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46004399
4-benzyl-2-(4-fluorophenyl)-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93158893
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
CID 50793231

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42217337) is 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide is C[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QXDNEZJNGPLZJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16(18-12-8-5-9-13-18)25-21(29)20-14-19-22(26(2)24(31)27(3)23(19)30)28(20)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,25,29)/t16-/m1/s1.
What are the key properties of 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,3-dimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42217337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).