N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide

C16H17N5O3 — CID 78396466

IUPACN-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide
SMILESCCCCN1C(=O)N=C2N=c3cc(NC(C)=O)ccc3=NC2C1=O
InChIInChI=1S/C16H17N5O3/c1-3-4-7-21-15(23)13-14(20-16(21)24)19-12-8-10(17-9(2)22)5-6-11(12)18-13/h5-6,8,13H,3-4,7H2,1-2H3,(H,17,22)
InChIKeyGSGUOKVFRCLNMC-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.43
Rot. Bonds4

About N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide

N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide (PubChem CID 78396466) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide.

Molecular Properties

Compound NameN-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide
PubChem CID78396466
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide
SMILESCCCCN1C(=O)N=C2N=c3cc(NC(C)=O)ccc3=NC2C1=O
InChIInChI=1S/C16H17N5O3/c1-3-4-7-21-15(23)13-14(20-16(21)24)19-12-8-10(17-9(2)22)5-6-11(12)18-13/h5-6,8,13H,3-4,7H2,1-2H3,(H,17,22)
InChIKeyGSGUOKVFRCLNMC-UHFFFAOYSA-N
XLogP0.43
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide?
The IUPAC name of N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide (CID 78396466) is N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide.
What is the SMILES notation for N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide?
The canonical SMILES for N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide is CCCCN1C(=O)N=C2N=c3cc(NC(C)=O)ccc3=NC2C1=O.
What is the InChIKey of N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide?
The InChIKey is GSGUOKVFRCLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-3-4-7-21-15(23)13-14(20-16(21)24)19-12-8-10(17-9(2)22)5-6-11(12)18-13/h5-6,8,13H,3-4,7H2,1-2H3,(H,17,22).
What are the key properties of N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide?
N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-2,4-dioxo-4aH-benzo[g]pteridin-8-yl)acetamide is sourced from PubChem (CID 78396466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).