N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide

C24H33N5O3 — CID 22428518

IUPACN-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide
SMILESCCCCCCC(=O)Nc1cc2nc3[nH]c(=O)n(CCCCCC)c(=O)c3nc2cc1C
InChIInChI=1S/C24H33N5O3/c1-4-6-8-10-12-20(30)25-17-15-19-18(14-16(17)3)26-21-22(27-19)28-24(32)29(23(21)31)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3,(H,25,30)(H,27,28,32)
InChIKeyITDYUYAKENBRDT-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.43
Rot. Bonds11

About N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide

N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide (PubChem CID 22428518) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide.

Molecular Properties

Compound NameN-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide
PubChem CID22428518
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide
SMILESCCCCCCC(=O)Nc1cc2nc3[nH]c(=O)n(CCCCCC)c(=O)c3nc2cc1C
InChIInChI=1S/C24H33N5O3/c1-4-6-8-10-12-20(30)25-17-15-19-18(14-16(17)3)26-21-22(27-19)28-24(32)29(23(21)31)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3,(H,25,30)(H,27,28,32)
InChIKeyITDYUYAKENBRDT-UHFFFAOYSA-N
XLogP4.43
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lumichrome
CID 5326566
N-(3-butyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)acetamide
CID 5601456
2,2,2-trifluoro-N-(7-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)acetamide
CID 11646094
8-Amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione
CID 5419018
N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)-2,2,2-trifluoroacetamide
CID 3579305
8-amino-3-benzyl-7-methylbenzo[g]pteridine-2,4(1H,3H)-dione
CID 5400997
8-Amino-3-phenethyl-10H-benzo[g]pteridine-2,4-dione
CID 5422425
8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione
CID 5422824
8-Amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione
CID 5549699
8-amino-3-butylbenzo[g]pteridine-2,4(1H,3H)-dione
CID 5599490
2,2,2-trifluoro-N-(1,3,9-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)acetamide
CID 15988965
N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
CID 916048

Frequently Asked Questions

What is the IUPAC name of N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide?
The IUPAC name of N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide (CID 22428518) is N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide.
What is the SMILES notation for N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide?
The canonical SMILES for N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide is CCCCCCC(=O)Nc1cc2nc3[nH]c(=O)n(CCCCCC)c(=O)c3nc2cc1C.
What is the InChIKey of N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide?
The InChIKey is ITDYUYAKENBRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-4-6-8-10-12-20(30)25-17-15-19-18(14-16(17)3)26-21-22(27-19)28-24(32)29(23(21)31)13-11-9-7-5-2/h14-15H,4-13H2,1-3H3,(H,25,30)(H,27,28,32).
What are the key properties of N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide?
N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide has a molecular weight of 439.56 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexyl-7-methyl-2,4-dioxo-1H-benzo[g]pteridin-8-yl)heptanamide is sourced from PubChem (CID 22428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).