N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride

C17H19ClN4O3 — CID 119494454

IUPACN-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N4O3.ClH/c22-17(12-1-3-14-15(9-12)24-11-23-14)20-16-4-2-13(10-19-16)21-7-5-18-6-8-21;/h1-4,9-10,18H,5-8,11H2,(H,19,20,22);1H
InChIKeyBBANCJJCGDEVFE-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.89
Rot. Bonds3

About N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride

N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride (PubChem CID 119494454) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
PubChem CID119494454
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC NameN-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N4O3.ClH/c22-17(12-1-3-14-15(9-12)24-11-23-14)20-16-4-2-13(10-19-16)21-7-5-18-6-8-21;/h1-4,9-10,18H,5-8,11H2,(H,19,20,22);1H
InChIKeyBBANCJJCGDEVFE-UHFFFAOYSA-N
XLogP1.89
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
N-(5-piperazin-1-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 119494181

Frequently Asked Questions

What is the IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The IUPAC name of N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride (CID 119494454) is N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The InChIKey is BBANCJJCGDEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.ClH/c22-17(12-1-3-14-15(9-12)24-11-23-14)20-16-4-2-13(10-19-16)21-7-5-18-6-8-21;/h1-4,9-10,18H,5-8,11H2,(H,19,20,22);1H.
What are the key properties of N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119494454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).