N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

C11H9BrN4O2 — CID 20866793

IUPACN-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1nccnc1CO
InChIInChI=1S/C11H9BrN4O2/c12-7-1-2-9(15-5-7)16-11(18)10-8(6-17)13-3-4-14-10/h1-5,17H,6H2,(H,15,16,18)
InChIKeyRAMQFKNSSDWUBD-UHFFFAOYSA-N
MW309.12 g/mol
LogP1.38
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (PubChem CID 20866793) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
PubChem CID20866793
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1nccnc1CO
InChIInChI=1S/C11H9BrN4O2/c12-7-1-2-9(15-5-7)16-11(18)10-8(6-17)13-3-4-14-10/h1-5,17H,6H2,(H,15,16,18)
InChIKeyRAMQFKNSSDWUBD-UHFFFAOYSA-N
XLogP1.38
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (CID 20866793) is N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Br)cn1)c1nccnc1CO.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The InChIKey is RAMQFKNSSDWUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c12-7-1-2-9(15-5-7)16-11(18)10-8(6-17)13-3-4-14-10/h1-5,17H,6H2,(H,15,16,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide has a molecular weight of 309.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 20866793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).