1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine

C16H21N5 — CID 56780921

IUPAC1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3ccccn3)C2)nn1
InChIInChI=1S/C16H21N5/c1-13-7-8-16(20-19-13)21-10-4-6-15(12-21)18-11-14-5-2-3-9-17-14/h2-3,5,7-9,15,18H,4,6,10-12H2,1H3
InChIKeyWXWHPCAXMXABHJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.94
Rot. Bonds4

About 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine

1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine (PubChem CID 56780921) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
PubChem CID56780921
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3ccccn3)C2)nn1
InChIInChI=1S/C16H21N5/c1-13-7-8-16(20-19-13)21-10-4-6-15(12-21)18-11-14-5-2-3-9-17-14/h2-3,5,7-9,15,18H,4,6,10-12H2,1H3
InChIKeyWXWHPCAXMXABHJ-UHFFFAOYSA-N
XLogP1.94
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine (CID 56780921) is 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine is Cc1ccc(N2CCCC(NCc3ccccn3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine?
The InChIKey is WXWHPCAXMXABHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13-7-8-16(20-19-13)21-10-4-6-15(12-21)18-11-14-5-2-3-9-17-14/h2-3,5,7-9,15,18H,4,6,10-12H2,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine?
1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 56780921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).