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

C18H22N4O — CID 2768253

IUPAC4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C18H22N4O/c1-14-3-5-15(6-4-14)18(23)20-16-7-8-17(19-13-16)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyOMIOBAGHVFHLMN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.39
Rot. Bonds3

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

4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 2768253) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID2768253
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C18H22N4O/c1-14-3-5-15(6-4-14)18(23)20-16-7-8-17(19-13-16)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyOMIOBAGHVFHLMN-UHFFFAOYSA-N
XLogP2.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 2768253) is 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is OMIOBAGHVFHLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-3-5-15(6-4-14)18(23)20-16-7-8-17(19-13-16)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 2768253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).