azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide

C26H43N11O4 — CID 158494109

IUPACazane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide
SMILESN.N.N.N.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C26H31N7O4.4H3N/c34-18-8-9-19(21(35)16-18)23(37)28-20-10-7-17(15-22(20)36)27-24-29-25(32-11-3-1-4-12-32)31-26(30-24)33-13-5-2-6-14-33;;;;/h7-10,15-16,34-36H,1-6,11-14H2,(H,28,37)(H,27,29,30,31);4*1H3
InChIKeyUGFQFGHHMFERLM-UHFFFAOYSA-N
MW573.70 g/mol
LogP4.61
Rot. Bonds6

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

azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide (PubChem CID 158494109) has the molecular formula C26H43N11O4 and a molecular weight of 573.70 g/mol. Its IUPAC name is azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound Nameazane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide
PubChem CID158494109
Molecular FormulaC26H43N11O4
Molecular Weight573.70 g/mol
Exact Mass573.35
IUPAC Nameazane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide
SMILESN.N.N.N.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C26H31N7O4.4H3N/c34-18-8-9-19(21(35)16-18)23(37)28-20-10-7-17(15-22(20)36)27-24-29-25(32-11-3-1-4-12-32)31-26(30-24)33-13-5-2-6-14-33;;;;/h7-10,15-16,34-36H,1-6,11-14H2,(H,28,37)(H,27,29,30,31);4*1H3
InChIKeyUGFQFGHHMFERLM-UHFFFAOYSA-N
XLogP4.61
TPSA286.97 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 54.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide?
The IUPAC name of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide (CID 158494109) is azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide?
The canonical SMILES for azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide is N.N.N.N.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O)c1ccc(O)cc1O.
What is the InChIKey of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide?
The InChIKey is UGFQFGHHMFERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4.4H3N/c34-18-8-9-19(21(35)16-18)23(37)28-20-10-7-17(15-22(20)36)27-24-29-25(32-11-3-1-4-12-32)31-26(30-24)33-13-5-2-6-14-33;;;;/h7-10,15-16,34-36H,1-6,11-14H2,(H,28,37)(H,27,29,30,31);4*1H3.
What are the key properties of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide?
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide has a molecular weight of 573.70 g/mol, XLogP of 4.61, 6 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 158494109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).