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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Related Compounds

5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190
1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 133330179
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine
CID 115922859
1-(1-methylpyrazol-4-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 133340954
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 97221881
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133330058
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569033
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133330010
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71870989

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).