2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride

C11H16Cl2N4 — CID 121433880

IUPAC2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cc(C2CCNCC2)cnc1N
InChIInChI=1S/C11H14N4.2ClH/c12-6-9-5-10(7-15-11(9)13)8-1-3-14-4-2-8;;/h5,7-8,14H,1-4H2,(H2,13,15);2*1H
InChIKeyUQWNFKPINUQEKX-UHFFFAOYSA-N
MW275.18 g/mol
LogP1.85
Rot. Bonds1

About 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride

2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride (PubChem CID 121433880) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
PubChem CID121433880
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cc(C2CCNCC2)cnc1N
InChIInChI=1S/C11H14N4.2ClH/c12-6-9-5-10(7-15-11(9)13)8-1-3-14-4-2-8;;/h5,7-8,14H,1-4H2,(H2,13,15);2*1H
InChIKeyUQWNFKPINUQEKX-UHFFFAOYSA-N
XLogP1.85
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride?
The IUPAC name of 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride (CID 121433880) is 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride.
What is the SMILES notation for 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride?
The canonical SMILES for 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1cc(C2CCNCC2)cnc1N.
What is the InChIKey of 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride?
The InChIKey is UQWNFKPINUQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.2ClH/c12-6-9-5-10(7-15-11(9)13)8-1-3-14-4-2-8;;/h5,7-8,14H,1-4H2,(H2,13,15);2*1H.
What are the key properties of 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride?
2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 121433880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).