5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C16H18BrN7 — CID 59613364

IUPAC5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2Br)CC1
InChIInChI=1S/C16H18BrN7/c1-24-4-2-11(3-5-24)22-14-6-15(21-9-13(14)17)23-16-10-19-12(7-18)8-20-16/h6,8-11H,2-5H2,1H3,(H2,20,21,22,23)
InChIKeyRBXWFRMPMPVMSL-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.76
Rot. Bonds4

About 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 59613364) has the molecular formula C16H18BrN7 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID59613364
Molecular FormulaC16H18BrN7
Molecular Weight388.27 g/mol
Exact Mass387.08
IUPAC Name5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2Br)CC1
InChIInChI=1S/C16H18BrN7/c1-24-4-2-11(3-5-24)22-14-6-15(21-9-13(14)17)23-16-10-19-12(7-18)8-20-16/h6,8-11H,2-5H2,1H3,(H2,20,21,22,23)
InChIKeyRBXWFRMPMPVMSL-UHFFFAOYSA-N
XLogP2.76
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 59613364) is 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is CN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2Br)CC1.
What is the InChIKey of 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is RBXWFRMPMPVMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN7/c1-24-4-2-11(3-5-24)22-14-6-15(21-9-13(14)17)23-16-10-19-12(7-18)8-20-16/h6,8-11H,2-5H2,1H3,(H2,20,21,22,23).
What are the key properties of 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 388.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).