5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine

C14H18BrN5 — CID 75494330

IUPAC5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
SMILESCn1cc(N2CCCC(Nc3cncc(Br)c3)C2)cn1
InChIInChI=1S/C14H18BrN5/c1-19-10-14(8-17-19)20-4-2-3-12(9-20)18-13-5-11(15)6-16-7-13/h5-8,10,12,18H,2-4,9H2,1H3
InChIKeyORCSEYBARBOYRX-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.66
Rot. Bonds3

About 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine

5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine (PubChem CID 75494330) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
PubChem CID75494330
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
SMILESCn1cc(N2CCCC(Nc3cncc(Br)c3)C2)cn1
InChIInChI=1S/C14H18BrN5/c1-19-10-14(8-17-19)20-4-2-3-12(9-20)18-13-5-11(15)6-16-7-13/h5-8,10,12,18H,2-4,9H2,1H3
InChIKeyORCSEYBARBOYRX-UHFFFAOYSA-N
XLogP2.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine (CID 75494330) is 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine is Cn1cc(N2CCCC(Nc3cncc(Br)c3)C2)cn1.
What is the InChIKey of 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine?
The InChIKey is ORCSEYBARBOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-19-10-14(8-17-19)20-4-2-3-12(9-20)18-13-5-11(15)6-16-7-13/h5-8,10,12,18H,2-4,9H2,1H3.
What are the key properties of 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine?
5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine has a molecular weight of 336.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 75494330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).