4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

C18H22N4O — CID 3730038

IUPAC4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccnc2N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-14-5-7-15(8-6-14)18(23)20-16-4-3-9-19-17(16)22-12-10-21(2)11-13-22/h3-9H,10-13H2,1-2H3,(H,20,23)
InChIKeyDQGXVXOHHPSUHY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.39
Rot. Bonds3

About 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide

4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 3730038) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID3730038
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccnc2N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-14-5-7-15(8-6-14)18(23)20-16-4-3-9-19-17(16)22-12-10-21(2)11-13-22/h3-9H,10-13H2,1-2H3,(H,20,23)
InChIKeyDQGXVXOHHPSUHY-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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Related Compounds

3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
4-[(2-methylphenyl)sulfamoyl]-N-(2-piperidin-1-yl-3-pyridinyl)benzamide
CID 55981480
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide
CID 142743601
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307637
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 3730038) is 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cccnc2N2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is DQGXVXOHHPSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-5-7-15(8-6-14)18(23)20-16-4-3-9-19-17(16)22-12-10-21(2)11-13-22/h3-9H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide?
4-methyl-N-[2-(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-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 3730038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).