N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide

C25H30N6O — CID 70222009

IUPACN-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide
SMILESCCN(C(=O)c1ccc(CNc2ncnc(N3CCCCC3)n2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H30N6O/c1-3-31(22-9-7-8-19(2)16-22)23(32)21-12-10-20(11-13-21)17-26-24-27-18-28-25(29-24)30-14-5-4-6-15-30/h7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,26,27,28,29)
InChIKeyRDYYZCCTUHUVEG-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.45
Rot. Bonds7

About N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide

N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide (PubChem CID 70222009) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide
PubChem CID70222009
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide
SMILESCCN(C(=O)c1ccc(CNc2ncnc(N3CCCCC3)n2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H30N6O/c1-3-31(22-9-7-8-19(2)16-22)23(32)21-12-10-20(11-13-21)17-26-24-27-18-28-25(29-24)30-14-5-4-6-15-30/h7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,26,27,28,29)
InChIKeyRDYYZCCTUHUVEG-UHFFFAOYSA-N
XLogP4.45
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide (CID 70222009) is N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide is CCN(C(=O)c1ccc(CNc2ncnc(N3CCCCC3)n2)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide?
The InChIKey is RDYYZCCTUHUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-3-31(22-9-7-8-19(2)16-22)23(32)21-12-10-20(11-13-21)17-26-24-27-18-28-25(29-24)30-14-5-4-6-15-30/h7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide?
N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide has a molecular weight of 430.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-[[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 70222009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).