6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine

C33H33N5O3 — CID 177456037

IUPAC6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine
SMILESCOc1ccc(C/N=c2\cc(Nc3cccc(-c4ccccc4)c3)cc(NCCc3ccccn3)n2O)c(OC)c1
InChIInChI=1S/C33H33N5O3/c1-40-30-15-14-26(31(22-30)41-2)23-36-33-21-29(20-32(38(33)39)35-18-16-27-12-6-7-17-34-27)37-28-13-8-11-25(19-28)24-9-4-3-5-10-24/h3-15,17,19-22,35,37,39H,16,18,23H2,1-2H3/b36-33+
InChIKeyIYKSOUHWFAVZBL-PKUSAGTQSA-N
MW547.66 g/mol
LogP6.30
Rot. Bonds11

About 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine

6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine (PubChem CID 177456037) has the molecular formula C33H33N5O3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine
PubChem CID177456037
Molecular FormulaC33H33N5O3
Molecular Weight547.66 g/mol
Exact Mass547.26
IUPAC Name6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine
SMILESCOc1ccc(C/N=c2\cc(Nc3cccc(-c4ccccc4)c3)cc(NCCc3ccccn3)n2O)c(OC)c1
InChIInChI=1S/C33H33N5O3/c1-40-30-15-14-26(31(22-30)41-2)23-36-33-21-29(20-32(38(33)39)35-18-16-27-12-6-7-17-34-27)37-28-13-8-11-25(19-28)24-9-4-3-5-10-24/h3-15,17,19-22,35,37,39H,16,18,23H2,1-2H3/b36-33+
InChIKeyIYKSOUHWFAVZBL-PKUSAGTQSA-N
XLogP6.30
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine
CID 71423908
2-N-(4-methoxyphenyl)-6-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 117083512
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
6,7-dimethoxy-2-phenyl-N-(2-pyridin-2-ylethyl)quinazolin-4-amine
CID 117093998
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
3-(3,4-dimethylphenyl)-4-(3-methoxyanilino)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110588725
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine (CID 177456037) is 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine is COc1ccc(C/N=c2\cc(Nc3cccc(-c4ccccc4)c3)cc(NCCc3ccccn3)n2O)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine?
The InChIKey is IYKSOUHWFAVZBL-PKUSAGTQSA-N. The full InChI is InChI=1S/C33H33N5O3/c1-40-30-15-14-26(31(22-30)41-2)23-36-33-21-29(20-32(38(33)39)35-18-16-27-12-6-7-17-34-27)37-28-13-8-11-25(19-28)24-9-4-3-5-10-24/h3-15,17,19-22,35,37,39H,16,18,23H2,1-2H3/b36-33+.
What are the key properties of 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine?
6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine has a molecular weight of 547.66 g/mol, XLogP of 6.30, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 177456037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).