N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide

C26H30ClN7O2 — CID 58865197

IUPACN-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O
InChIInChI=1S/C26H30ClN7O2/c27-18-7-9-19(10-8-18)28-23(36)21-12-11-20(17-22(21)35)29-24-30-25(33-13-3-1-4-14-33)32-26(31-24)34-15-5-2-6-16-34/h7-12,17,35H,1-6,13-16H2,(H,28,36)(H,29,30,31,32)
InChIKeyRLBBPXRVLVANEE-UHFFFAOYSA-N
MW508.03 g/mol
LogP5.21
Rot. Bonds6

About N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide

N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide (PubChem CID 58865197) has the molecular formula C26H30ClN7O2 and a molecular weight of 508.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
PubChem CID58865197
Molecular FormulaC26H30ClN7O2
Molecular Weight508.03 g/mol
Exact Mass507.21
IUPAC NameN-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O
InChIInChI=1S/C26H30ClN7O2/c27-18-7-9-19(10-8-18)28-23(36)21-12-11-20(17-22(21)35)29-24-30-25(33-13-3-1-4-14-33)32-26(31-24)34-15-5-2-6-16-34/h7-12,17,35H,1-6,13-16H2,(H,28,36)(H,29,30,31,32)
InChIKeyRLBBPXRVLVANEE-UHFFFAOYSA-N
XLogP5.21
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.03
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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
4-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(4-chlorophenyl)-2-hydroxybenzamide
CID 58948965
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
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
azane;N-(3H-benzimidazol-5-yl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide;molecular hydrogen;hydrochloride
CID 160700643
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
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-5-fluoro-2-hydroxybenzamide
CID 58865684
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
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3,4-dimethoxybenzamide
CID 58865719
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-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
3-bromo-N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide
CID 58865237

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide (CID 58865197) is N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O.
What is the InChIKey of N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide?
The InChIKey is RLBBPXRVLVANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O2/c27-18-7-9-19(10-8-18)28-23(36)21-12-11-20(17-22(21)35)29-24-30-25(33-13-3-1-4-14-33)32-26(31-24)34-15-5-2-6-16-34/h7-12,17,35H,1-6,13-16H2,(H,28,36)(H,29,30,31,32).
What are the key properties of N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide?
N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide has a molecular weight of 508.03 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide is sourced from PubChem (CID 58865197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).