N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide

C22H26N8O — CID 70815466

IUPACN-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
SMILESCCc1nc(Nc2ccc(NC(=O)c3ccccc3)cn2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H26N8O/c1-3-18-25-21(28-22(27-18)30-13-11-29(2)12-14-30)26-19-10-9-17(15-23-19)24-20(31)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,24,31)(H,23,25,26,27,28)
InChIKeyGFJWTZPXEJEEFD-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.58
Rot. Bonds6

About N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide

N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide (PubChem CID 70815466) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
PubChem CID70815466
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC NameN-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
SMILESCCc1nc(Nc2ccc(NC(=O)c3ccccc3)cn2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H26N8O/c1-3-18-25-21(28-22(27-18)30-13-11-29(2)12-14-30)26-19-10-9-17(15-23-19)24-20(31)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,24,31)(H,23,25,26,27,28)
InChIKeyGFJWTZPXEJEEFD-UHFFFAOYSA-N
XLogP2.58
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
6-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
CID 70816024
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
N-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]benzamide
CID 88588919
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 70815764
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
CID 70816172
N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide
CID 70815636
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 70815544
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
CID 88995125
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridazine-3-carboxamide
CID 88994960
4-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 70815876

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide (CID 70815466) is N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide is CCc1nc(Nc2ccc(NC(=O)c3ccccc3)cn2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide?
The InChIKey is GFJWTZPXEJEEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-3-18-25-21(28-22(27-18)30-13-11-29(2)12-14-30)26-19-10-9-17(15-23-19)24-20(31)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,24,31)(H,23,25,26,27,28).
What are the key properties of N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide?
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide has a molecular weight of 418.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 70815466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).