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

C25H28N4O — CID 46157259

IUPAC3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(CN2CCN(c3ccc(NC(=O)c4cccc(C)c4)cn3)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-19-6-8-21(9-7-19)18-28-12-14-29(15-13-28)24-11-10-23(17-26-24)27-25(30)22-5-3-4-20(2)16-22/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30)
InChIKeyJJOVSKFSWJZMAY-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.27
Rot. Bonds5

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

3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46157259) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46157259
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(CN2CCN(c3ccc(NC(=O)c4cccc(C)c4)cn3)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-19-6-8-21(9-7-19)18-28-12-14-29(15-13-28)24-11-10-23(17-26-24)27-25(30)22-5-3-4-20(2)16-22/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30)
InChIKeyJJOVSKFSWJZMAY-UHFFFAOYSA-N
XLogP4.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857364
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850153
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 42857549
2,2-dimethyl-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]propanamide
CID 46053898
N-[6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857590
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423
N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 46053857
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 46157259) is 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is Cc1ccc(CN2CCN(c3ccc(NC(=O)c4cccc(C)c4)cn3)CC2)cc1.
What is the InChIKey of 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is JJOVSKFSWJZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-6-8-21(9-7-19)18-28-12-14-29(15-13-28)24-11-10-23(17-26-24)27-25(30)22-5-3-4-20(2)16-22/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30).
What are the key properties of 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46157259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).