4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

C17H19ClN4O — CID 2768252

IUPAC4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-21-8-10-22(11-9-21)16-7-6-15(12-19-16)20-17(23)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyNJQCEQRGDRYPPX-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 2768252) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID2768252
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-21-8-10-22(11-9-21)16-7-6-15(12-19-16)20-17(23)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyNJQCEQRGDRYPPX-UHFFFAOYSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 2768252) is 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is NJQCEQRGDRYPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-21-8-10-22(11-9-21)16-7-6-15(12-19-16)20-17(23)13-2-4-14(18)5-3-13/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 2768252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).