N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C14H13BrN6O3 — CID 5071541

IUPACN-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)cn2)n(C)c1=O
InChIInChI=1S/C14H13BrN6O3/c1-19-12-11(13(23)20(2)14(19)24)21(7-17-12)6-10(22)18-9-4-3-8(15)5-16-9/h3-5,7H,6H2,1-2H3,(H,16,18,22)
InChIKeyUSGNARDJRXANOY-UHFFFAOYSA-N
MW393.20 g/mol
LogP0.23
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 5071541) has the molecular formula C14H13BrN6O3 and a molecular weight of 393.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID5071541
Molecular FormulaC14H13BrN6O3
Molecular Weight393.20 g/mol
Exact Mass392.02
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)cn2)n(C)c1=O
InChIInChI=1S/C14H13BrN6O3/c1-19-12-11(13(23)20(2)14(19)24)21(7-17-12)6-10(22)18-9-4-3-8(15)5-16-9/h3-5,7H,6H2,1-2H3,(H,16,18,22)
InChIKeyUSGNARDJRXANOY-UHFFFAOYSA-N
XLogP0.23
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 5071541) is N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)cn2)n(C)c1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is USGNARDJRXANOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O3/c1-19-12-11(13(23)20(2)14(19)24)21(7-17-12)6-10(22)18-9-4-3-8(15)5-16-9/h3-5,7H,6H2,1-2H3,(H,16,18,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 393.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 5071541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).