4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide

C14H9BrN6O2 — CID 118707827

IUPAC4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Br)ccn1
InChIInChI=1S/C14H9BrN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
InChIKeyLVSODIJLSCSIMR-UHFFFAOYSA-N
MW373.17 g/mol
LogP2.47
Rot. Bonds4

About 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide

4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 118707827) has the molecular formula C14H9BrN6O2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID118707827
Molecular FormulaC14H9BrN6O2
Molecular Weight373.17 g/mol
Exact Mass372.00
IUPAC Name4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Br)ccn1
InChIInChI=1S/C14H9BrN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
InChIKeyLVSODIJLSCSIMR-UHFFFAOYSA-N
XLogP2.47
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide (CID 118707827) is 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide is O=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is LVSODIJLSCSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22).
What are the key properties of 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide?
4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 373.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-pyrimidin-5-yloxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).