N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide

C17H11BrF2N4O2 — CID 11589845

IUPACN-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCOc1ncc(Br)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C17H11BrF2N4O2/c1-26-17-10(5-9(18)6-23-17)13-7-22-14(8-21-13)24-16(25)15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,22,24,25)
InChIKeyRUGQZWUSCYZRJA-UHFFFAOYSA-N
MW421.20 g/mol
LogP3.84
Rot. Bonds4

About N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 11589845) has the molecular formula C17H11BrF2N4O2 and a molecular weight of 421.20 g/mol. Its IUPAC name is N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID11589845
Molecular FormulaC17H11BrF2N4O2
Molecular Weight421.20 g/mol
Exact Mass420.00
IUPAC NameN-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCOc1ncc(Br)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C17H11BrF2N4O2/c1-26-17-10(5-9(18)6-23-17)13-7-22-14(8-21-13)24-16(25)15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,22,24,25)
InChIKeyRUGQZWUSCYZRJA-UHFFFAOYSA-N
XLogP3.84
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide (CID 11589845) is N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide is COc1ncc(Br)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is RUGQZWUSCYZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N4O2/c1-26-17-10(5-9(18)6-23-17)13-7-22-14(8-21-13)24-16(25)15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,22,24,25).
What are the key properties of N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 421.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 11589845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).