4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide

C15H10BrN5O2 — CID 51038391

IUPAC4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccn1
InChIInChI=1S/C15H10BrN5O2/c16-10-1-2-20-14(3-10)15(22)21-11-4-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22)
InChIKeyKZNIQYFLVYURSA-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.07
Rot. Bonds4

About 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide

4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 51038391) has the molecular formula C15H10BrN5O2 and a molecular weight of 372.18 g/mol. Its IUPAC name is 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
PubChem CID51038391
Molecular FormulaC15H10BrN5O2
Molecular Weight372.18 g/mol
Exact Mass371.00
IUPAC Name4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccn1
InChIInChI=1S/C15H10BrN5O2/c16-10-1-2-20-14(3-10)15(22)21-11-4-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22)
InChIKeyKZNIQYFLVYURSA-UHFFFAOYSA-N
XLogP3.07
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide (CID 51038391) is 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is KZNIQYFLVYURSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5O2/c16-10-1-2-20-14(3-10)15(22)21-11-4-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22).
What are the key properties of 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide?
4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 372.18 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 51038391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).