N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride

C12H19ClN4O — CID 6602987

IUPACN-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccccn1
InChIInChI=1S/C12H18N4O.ClH/c17-12(11-3-1-2-4-14-11)15-7-10-16-8-5-13-6-9-16;/h1-4,13H,5-10H2,(H,15,17);1H
InChIKeyPVZXDIMRVKGIHE-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.14
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride

N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 6602987) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride
PubChem CID6602987
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC NameN-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccccn1
InChIInChI=1S/C12H18N4O.ClH/c17-12(11-3-1-2-4-14-11)15-7-10-16-8-5-13-6-9-16;/h1-4,13H,5-10H2,(H,15,17);1H
InChIKeyPVZXDIMRVKGIHE-UHFFFAOYSA-N
XLogP0.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride (CID 6602987) is N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccccn1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is PVZXDIMRVKGIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c17-12(11-3-1-2-4-14-11)15-7-10-16-8-5-13-6-9-16;/h1-4,13H,5-10H2,(H,15,17);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 6602987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).