N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide

C20H25N5O3 — CID 15988944

IUPACN-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide
SMILESCCCCCCC(=O)Nc1cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C
InChIInChI=1S/C20H25N5O3/c1-5-6-7-8-9-16(26)21-13-11-15-14(10-12(13)2)22-17-18(23-15)24(3)20(28)25(4)19(17)27/h10-11H,5-9H2,1-4H3,(H,21,26)
InChIKeyZDIRWFXPJIHHHT-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.40
Rot. Bonds6

About N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide

N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide (PubChem CID 15988944) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide.

Molecular Properties

Compound NameN-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide
PubChem CID15988944
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide
SMILESCCCCCCC(=O)Nc1cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C
InChIInChI=1S/C20H25N5O3/c1-5-6-7-8-9-16(26)21-13-11-15-14(10-12(13)2)22-17-18(23-15)24(3)20(28)25(4)19(17)27/h10-11H,5-9H2,1-4H3,(H,21,26)
InChIKeyZDIRWFXPJIHHHT-UHFFFAOYSA-N
XLogP2.40
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 5326566
CID 5326566
CID 5601456
CID 5601456
CID 11646094
CID 11646094
CID 5403692
CID 5403692
CID 5419018
CID 5419018
CID 3579305
CID 3579305
CID 5400997
CID 5400997
CID 5422425
CID 5422425
CID 5422824
CID 5422824
CID 5549699
CID 5549699
CID 5599490
CID 5599490
CID 15988965
CID 15988965

Frequently Asked Questions

What is the IUPAC name of N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide?
The IUPAC name of N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide (CID 15988944) is N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide.
What is the SMILES notation for N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide?
The canonical SMILES for N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide is CCCCCCC(=O)Nc1cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C.
What is the InChIKey of N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide?
The InChIKey is ZDIRWFXPJIHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-5-6-7-8-9-16(26)21-13-11-15-14(10-12(13)2)22-17-18(23-15)24(3)20(28)25(4)19(17)27/h10-11H,5-9H2,1-4H3,(H,21,26).
What are the key properties of N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide?
N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide has a molecular weight of 383.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,7-trimethyl-2,4-dioxobenzo[g]pteridin-8-yl)heptanamide is sourced from PubChem (CID 15988944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).