[3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine

C26H28N4O4 — CID 174999834

IUPAC[3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine
SMILESCOc1ccc(Cc2nc(NN)c3cnccc3c2Cc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C26H28N4O4/c1-31-18-7-5-16(24(13-18)33-3)11-21-20-9-10-28-15-22(20)26(30-27)29-23(21)12-17-6-8-19(32-2)14-25(17)34-4/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30)
InChIKeyWHHHMIILLBNGJG-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.13
Rot. Bonds9

About [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine

[3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine (PubChem CID 174999834) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine.

Molecular Properties

Compound Name[3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine
PubChem CID174999834
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name[3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine
SMILESCOc1ccc(Cc2nc(NN)c3cnccc3c2Cc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C26H28N4O4/c1-31-18-7-5-16(24(13-18)33-3)11-21-20-9-10-28-15-22(20)26(30-27)29-23(21)12-17-6-8-19(32-2)14-25(17)34-4/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30)
InChIKeyWHHHMIILLBNGJG-UHFFFAOYSA-N
XLogP4.13
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
CID 139401063
1-[(2,4-dimethoxyphenyl)methyl]-8-methylbenzo[f][1,7]naphthyridine-2,5-diamine
CID 67003932
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978
(3-ethyl-5,7-dimethoxyquinolin-2-yl)hydrazine
CID 63233121
6-bromo-2-chloro-4-[(2,4-dimethoxyphenyl)methyl]quinoline-3,5-diamine
CID 157171651
[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
CID 95467379
3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 174236060

Frequently Asked Questions

What is the IUPAC name of [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine?
The IUPAC name of [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine (CID 174999834) is [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine.
What is the SMILES notation for [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine?
The canonical SMILES for [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine is COc1ccc(Cc2nc(NN)c3cnccc3c2Cc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine?
The InChIKey is WHHHMIILLBNGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-31-18-7-5-16(24(13-18)33-3)11-21-20-9-10-28-15-22(20)26(30-27)29-23(21)12-17-6-8-19(32-2)14-25(17)34-4/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30).
What are the key properties of [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine?
[3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine has a molecular weight of 460.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[(2,4-dimethoxyphenyl)methyl]-2,7-naphthyridin-1-yl]hydrazine is sourced from PubChem (CID 174999834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).