2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide

C22H25N7O2 — CID 70815636

IUPAC2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide
SMILESCCc1nc(Oc2ncccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H25N7O2/c1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-20-17(10-7-11-23-20)19(30)24-16-8-5-4-6-9-16/h4-11H,3,12-15H2,1-2H3,(H,24,30)
InChIKeyAAUBCWOKNUSKNY-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.63
Rot. Bonds6

About 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide (PubChem CID 70815636) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide
PubChem CID70815636
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide
SMILESCCc1nc(Oc2ncccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H25N7O2/c1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-20-17(10-7-11-23-20)19(30)24-16-8-5-4-6-9-16/h4-11H,3,12-15H2,1-2H3,(H,24,30)
InChIKeyAAUBCWOKNUSKNY-UHFFFAOYSA-N
XLogP2.63
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide 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

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 70816010
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2-fluoro-6-methylphenyl)pyridine-3-carboxamide
CID 71234216
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide (CID 70815636) is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide is CCc1nc(Oc2ncccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide?
The InChIKey is AAUBCWOKNUSKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-3-18-25-21(29-14-12-28(2)13-15-29)27-22(26-18)31-20-17(10-7-11-23-20)19(30)24-16-8-5-4-6-9-16/h4-11H,3,12-15H2,1-2H3,(H,24,30).
What are the key properties of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide?
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 70815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).