[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid

C19H25N2O5P — CID 23435512

IUPAC[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid
SMILESCOc1ccc(CNc2cccc(CCCCC(=O)CP(=O)(O)O)n2)cc1
InChIInChI=1S/C19H25N2O5P/c1-26-18-11-9-15(10-12-18)13-20-19-8-4-6-16(21-19)5-2-3-7-17(22)14-27(23,24)25/h4,6,8-12H,2-3,5,7,13-14H2,1H3,(H,20,21)(H2,23,24,25)
InChIKeyJZQJBKZCTJGSLJ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.16
Rot. Bonds11

About [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid

[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid (PubChem CID 23435512) has the molecular formula C19H25N2O5P and a molecular weight of 392.39 g/mol. Its IUPAC name is [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid.

Molecular Properties

Compound Name[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid
PubChem CID23435512
Molecular FormulaC19H25N2O5P
Molecular Weight392.39 g/mol
Exact Mass392.15
IUPAC Name[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid
SMILESCOc1ccc(CNc2cccc(CCCCC(=O)CP(=O)(O)O)n2)cc1
InChIInChI=1S/C19H25N2O5P/c1-26-18-11-9-15(10-12-18)13-20-19-8-4-6-16(21-19)5-2-3-7-17(22)14-27(23,24)25/h4,6,8-12H,2-3,5,7,13-14H2,1H3,(H,20,21)(H2,23,24,25)
InChIKeyJZQJBKZCTJGSLJ-UHFFFAOYSA-N
XLogP3.16
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
(E)-1-(2-ethoxypyrimidin-5-yl)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]hept-1-en-3-ol
CID 23435494
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591
methyl 3-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzoate
CID 112892481
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-(2,6-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171299
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 162052936

Frequently Asked Questions

What is the IUPAC name of [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid?
The IUPAC name of [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid (CID 23435512) is [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid.
What is the SMILES notation for [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid?
The canonical SMILES for [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid is COc1ccc(CNc2cccc(CCCCC(=O)CP(=O)(O)O)n2)cc1.
What is the InChIKey of [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid?
The InChIKey is JZQJBKZCTJGSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O5P/c1-26-18-11-9-15(10-12-18)13-20-19-8-4-6-16(21-19)5-2-3-7-17(22)14-27(23,24)25/h4,6,8-12H,2-3,5,7,13-14H2,1H3,(H,20,21)(H2,23,24,25).
What are the key properties of [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid?
[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid has a molecular weight of 392.39 g/mol, XLogP of 3.16, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid is sourced from PubChem (CID 23435512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).