azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride

C34H52ClF6N11O4 — CID 158854620

IUPACazane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride
SMILESCl.N.N.NC(=O)C(F)(F)F.NC(=O)C(F)(F)F.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccc2ccccc2c1O.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H33N7O2.2C2H2F3NO.ClH.2H3N.4H2/c38-26-24-10-4-3-9-21(24)11-16-25(26)27(39)31-22-12-14-23(15-13-22)32-28-33-29(36-17-5-1-6-18-36)35-30(34-28)37-19-7-2-8-20-37;2*3-2(4,5)1(6)7;;;;;;;/h3-4,9-16,38H,1-2,5-8,17-20H2,(H,31,39)(H,32,33,34,35);2*(H2,6,7);1H;2*1H3;4*1H
InChIKeyMZPULWNWRSUQSI-UHFFFAOYSA-N
MW828.30 g/mol
LogP7.50
Rot. Bonds6

About azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride

azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride (PubChem CID 158854620) has the molecular formula C34H52ClF6N11O4 and a molecular weight of 828.30 g/mol. Its IUPAC name is azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride.

Molecular Properties

Compound Nameazane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride
PubChem CID158854620
Molecular FormulaC34H52ClF6N11O4
Molecular Weight828.30 g/mol
Exact Mass827.38
IUPAC Nameazane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride
SMILESCl.N.N.NC(=O)C(F)(F)F.NC(=O)C(F)(F)F.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccc2ccccc2c1O.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H33N7O2.2C2H2F3NO.ClH.2H3N.4H2/c38-26-24-10-4-3-9-21(24)11-16-25(26)27(39)31-22-12-14-23(15-13-22)32-28-33-29(36-17-5-1-6-18-36)35-30(34-28)37-19-7-2-8-20-37;2*3-2(4,5)1(6)7;;;;;;;/h3-4,9-16,38H,1-2,5-8,17-20H2,(H,31,39)(H,32,33,34,35);2*(H2,6,7);1H;2*1H3;4*1H
InChIKeyMZPULWNWRSUQSI-UHFFFAOYSA-N
XLogP7.50
TPSA262.69 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500828.30
LogP ≤ 57.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride with MolForge

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Related Compounds

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
N-[4-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride
CID 45263750
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-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide
CID 58949032
N-[4-[[4-(2-aminoethylamino)-6-[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide
CID 58948973
N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
CID 58865197
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
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;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2,4-dihydroxybenzamide
CID 158494109
azane;N-(2-chlorophenyl)-3-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-3-oxopropanamide;molecular hydrogen
CID 169428199
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-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
CID 58865098

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]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride?
The IUPAC name of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride (CID 158854620) is azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride.
What is the SMILES notation for azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride?
The canonical SMILES for azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride is Cl.N.N.NC(=O)C(F)(F)F.NC(=O)C(F)(F)F.O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccc2ccccc2c1O.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride?
The InChIKey is MZPULWNWRSUQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2.2C2H2F3NO.ClH.2H3N.4H2/c38-26-24-10-4-3-9-21(24)11-16-25(26)27(39)31-22-12-14-23(15-13-22)32-28-33-29(36-17-5-1-6-18-36)35-30(34-28)37-19-7-2-8-20-37;2*3-2(4,5)1(6)7;;;;;;;/h3-4,9-16,38H,1-2,5-8,17-20H2,(H,31,39)(H,32,33,34,35);2*(H2,6,7);1H;2*1H3;4*1H.
What are the key properties of azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride?
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride has a molecular weight of 828.30 g/mol, XLogP of 7.50, 6 rotatable bonds, 7 hydrogen bond donors, and 12 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]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride is sourced from PubChem (CID 158854620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).