N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide

C28H35N7O5 — CID 58865719

IUPACN-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2O)c(O)c1OC
InChIInChI=1S/C28H35N7O5/c1-39-22-12-10-19(23(37)24(22)40-2)25(38)30-20-11-9-18(17-21(20)36)29-26-31-27(34-13-5-3-6-14-34)33-28(32-26)35-15-7-4-8-16-35/h9-12,17,36-37H,3-8,13-16H2,1-2H3,(H,30,38)(H,29,31,32,33)
InChIKeyZZZWRWWXBDITAN-UHFFFAOYSA-N
MW549.63 g/mol
LogP4.28
Rot. Bonds8

About N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide

N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide (PubChem CID 58865719) has the molecular formula C28H35N7O5 and a molecular weight of 549.63 g/mol. Its IUPAC name is N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide
PubChem CID58865719
Molecular FormulaC28H35N7O5
Molecular Weight549.63 g/mol
Exact Mass549.27
IUPAC NameN-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2O)c(O)c1OC
InChIInChI=1S/C28H35N7O5/c1-39-22-12-10-19(23(37)24(22)40-2)25(38)30-20-11-9-18(17-21(20)36)29-26-31-27(34-13-5-3-6-14-34)33-28(32-26)35-15-7-4-8-16-35/h9-12,17,36-37H,3-8,13-16H2,1-2H3,(H,30,38)(H,29,31,32,33)
InChIKeyZZZWRWWXBDITAN-UHFFFAOYSA-N
XLogP4.28
TPSA145.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide 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

azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide
CID 158494109
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-5-fluoro-2-hydroxybenzamide
CID 58865684
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-5-(trifluoromethoxy)benzamide
CID 58865870
N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
CID 58865197
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-2,4-dihydroxybenzamide;methane;molecular hydrogen
CID 158069690
3-bromo-N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide
CID 58865237
4-chloro-N-[2-hydroxy-4-[(4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 58865439
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 58865669
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]adamantane-1-carboxamide;molecular hydrogen
CID 158896267
N-[4-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-3-chloro-2-hydroxybenzamide
CID 58948877
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-4-fluoro-2-hydroxybenzamide;molecular hydrogen;hydrochloride
CID 159482432
azane;4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide;molecular hydrogen;hydrochloride
CID 161201986

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide (CID 58865719) is N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2O)c(O)c1OC.
What is the InChIKey of N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide?
The InChIKey is ZZZWRWWXBDITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O5/c1-39-22-12-10-19(23(37)24(22)40-2)25(38)30-20-11-9-18(17-21(20)36)29-26-31-27(34-13-5-3-6-14-34)33-28(32-26)35-15-7-4-8-16-35/h9-12,17,36-37H,3-8,13-16H2,1-2H3,(H,30,38)(H,29,31,32,33).
What are the key properties of N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide?
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide has a molecular weight of 549.63 g/mol, XLogP of 4.28, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide is sourced from PubChem (CID 58865719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).