N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

C26H21N5O6 — CID 55336951

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H21N5O6/c1-29(20-21(27)30(26(36)28-22(20)32)13-15-6-3-2-4-7-15)23(33)16-9-10-18-19(12-16)25(35)31(24(18)34)14-17-8-5-11-37-17/h2-12H,13-14,27H2,1H3,(H,28,32,36)
InChIKeyXJYNAJBLCKILEN-UHFFFAOYSA-N
MW499.48 g/mol
LogP1.83
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55336951) has the molecular formula C26H21N5O6 and a molecular weight of 499.48 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID55336951
Molecular FormulaC26H21N5O6
Molecular Weight499.48 g/mol
Exact Mass499.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H21N5O6/c1-29(20-21(27)30(26(36)28-22(20)32)13-15-6-3-2-4-7-15)23(33)16-9-10-18-19(12-16)25(35)31(24(18)34)14-17-8-5-11-37-17/h2-12H,13-14,27H2,1H3,(H,28,32,36)
InChIKeyXJYNAJBLCKILEN-UHFFFAOYSA-N
XLogP1.83
TPSA151.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 31987257
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
CID 8801016
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
CID 4789733
[2-(benzylamino)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2500126
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46647679
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 42905011
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
CID 17435455
N-[5-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512604
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 16549492

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 55336951) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XJYNAJBLCKILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O6/c1-29(20-21(27)30(26(36)28-22(20)32)13-15-6-3-2-4-7-15)23(33)16-9-10-18-19(12-16)25(35)31(24(18)34)14-17-8-5-11-37-17/h2-12H,13-14,27H2,1H3,(H,28,32,36).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 499.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55336951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).