3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile

C13H19N5 — CID 63636497

IUPAC3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile
SMILESCCCN(c1nccnc1C#N)C1CCCNC1
InChIInChI=1S/C13H19N5/c1-2-8-18(11-4-3-5-15-10-11)13-12(9-14)16-6-7-17-13/h6-7,11,15H,2-5,8,10H2,1H3
InChIKeyJSXUAOXNXNHZOZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.32
Rot. Bonds4

About 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile

3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile (PubChem CID 63636497) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile
PubChem CID63636497
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile
SMILESCCCN(c1nccnc1C#N)C1CCCNC1
InChIInChI=1S/C13H19N5/c1-2-8-18(11-4-3-5-15-10-11)13-12(9-14)16-6-7-17-13/h6-7,11,15H,2-5,8,10H2,1H3
InChIKeyJSXUAOXNXNHZOZ-UHFFFAOYSA-N
XLogP1.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(piperidin-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 106643570
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
3,6-dimethyl-N-piperidin-3-yl-N-propylpyrazin-2-amine
CID 63636338
3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
CID 79719645
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925
N-(azetidin-3-yl)-3-methyl-N-propylpyrazin-2-amine
CID 83062619
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
CID 63304442
3-[methyl(propyl)amino]pyrazine-2-carbonitrile
CID 62685552
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-piperidin-3-yl-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 63636486
5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148
3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
CID 62684696

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile (CID 63636497) is 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile is CCCN(c1nccnc1C#N)C1CCCNC1.
What is the InChIKey of 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile?
The InChIKey is JSXUAOXNXNHZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-8-18(11-4-3-5-15-10-11)13-12(9-14)16-6-7-17-13/h6-7,11,15H,2-5,8,10H2,1H3.
What are the key properties of 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile?
3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 63636497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).