ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine

C25H33N7O — CID 143341573

IUPACethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
SMILESCC.Cc1cccc(/C=N/Nc2nc(OCCc3ccccn3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H27N7O.C2H6/c1-18-8-7-9-19(16-18)17-25-29-21-26-22(30-13-5-2-6-14-30)28-23(27-21)31-15-11-20-10-3-4-12-24-20;1-2/h3-4,7-10,12,16-17H,2,5-6,11,13-15H2,1H3,(H,26,27,28,29);1-2H3/b25-17+;
InChIKeyUMXURWQLVOFIIS-AREUYOMRSA-N
MW447.59 g/mol
LogP4.66
Rot. Bonds8

About ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine

ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine (PubChem CID 143341573) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Nameethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
PubChem CID143341573
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Nameethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
SMILESCC.Cc1cccc(/C=N/Nc2nc(OCCc3ccccn3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H27N7O.C2H6/c1-18-8-7-9-19(16-18)17-25-29-21-26-22(30-13-5-2-6-14-30)28-23(27-21)31-15-11-20-10-3-4-12-24-20;1-2/h3-4,7-10,12,16-17H,2,5-6,11,13-15H2,1H3,(H,26,27,28,29);1-2H3/b25-17+;
InChIKeyUMXURWQLVOFIIS-AREUYOMRSA-N
XLogP4.66
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
CID 11235876
N-[(E)-1H-indol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine dichloride
CID 135505691
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-2-piperidin-1-ylquinazolin-4-amine
CID 143341789
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 11178549
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
N-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3871754
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5340932

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine (CID 143341573) is ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine is CC.Cc1cccc(/C=N/Nc2nc(OCCc3ccccn3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine?
The InChIKey is UMXURWQLVOFIIS-AREUYOMRSA-N. The full InChI is InChI=1S/C23H27N7O.C2H6/c1-18-8-7-9-19(16-18)17-25-29-21-26-22(30-13-5-2-6-14-30)28-23(27-21)31-15-11-20-10-3-4-12-24-20;1-2/h3-4,7-10,12,16-17H,2,5-6,11,13-15H2,1H3,(H,26,27,28,29);1-2H3/b25-17+;.
What are the key properties of ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine?
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine has a molecular weight of 447.59 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 143341573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).