3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

C16H16Cl2N4O — CID 119494091

IUPAC3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N4O/c17-13-3-1-11(9-14(13)18)16(23)21-15-4-2-12(10-20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2,(H,20,21,23)
InChIKeyVJTAUILODXHPCJ-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.05
Rot. Bonds3

About 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (PubChem CID 119494091) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
PubChem CID119494091
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N4O/c17-13-3-1-11(9-14(13)18)16(23)21-15-4-2-12(10-20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2,(H,20,21,23)
InChIKeyVJTAUILODXHPCJ-UHFFFAOYSA-N
XLogP3.05
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
CID 113024830
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
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
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
N-(5-piperazin-1-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 119494181
5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (CID 119494091) is 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The InChIKey is VJTAUILODXHPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-13-3-1-11(9-14(13)18)16(23)21-15-4-2-12(10-20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2,(H,20,21,23).
What are the key properties of 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide has a molecular weight of 351.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 119494091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).