[4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol

C20H29N2O6P — CID 10180695

IUPAC[4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol
SMILESCCOP(=O)(CC(Nc1cccnc1)c1cc(OC)c(CO)c(OC)c1)OCC
InChIInChI=1S/C20H29N2O6P/c1-5-27-29(24,28-6-2)14-18(22-16-8-7-9-21-12-16)15-10-19(25-3)17(13-23)20(11-15)26-4/h7-12,18,22-23H,5-6,13-14H2,1-4H3
InChIKeyDVUHJSWQLXRAOM-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.01
Rot. Bonds12

About [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol

[4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol (PubChem CID 10180695) has the molecular formula C20H29N2O6P and a molecular weight of 424.43 g/mol. Its IUPAC name is [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol
PubChem CID10180695
Molecular FormulaC20H29N2O6P
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name[4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol
SMILESCCOP(=O)(CC(Nc1cccnc1)c1cc(OC)c(CO)c(OC)c1)OCC
InChIInChI=1S/C20H29N2O6P/c1-5-27-29(24,28-6-2)14-18(22-16-8-7-9-21-12-16)15-10-19(25-3)17(13-23)20(11-15)26-4/h7-12,18,22-23H,5-6,13-14H2,1-4H3
InChIKeyDVUHJSWQLXRAOM-UHFFFAOYSA-N
XLogP4.01
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-di(propan-2-yloxy)phosphoryl-1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-3-amine
CID 10114973
4-[2-di(propan-2-yloxy)phosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethylphenol
CID 10158246
[2-(3,5-ditert-butyl-4-methoxyphenyl)-2-(pyridin-3-ylamino)ethyl]phosphonic acid
CID 141059145
[2-(4-hydroxy-3,5-dimethylphenyl)-2-(pyridin-3-ylamino)ethyl]phosphonic acid
CID 141059148
4-[diethoxyphosphoryl-(pyridin-3-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 15463407
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
[1-[ethoxy(hydroxy)phosphoryl]-2-pyridin-3-ylethyl]phosphonic acid
CID 142636074
[1-(3-ethoxy-4-hydroxy-5-methylphenyl)-2-(pyridin-3-ylamino)ethyl]phosphonic acid
CID 91364443
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-3-yloxamide
CID 108510113
ethyl 3-anilino-3-(3,4-dimethoxyphenyl)propanoate
CID 10782581

Frequently Asked Questions

What is the IUPAC name of [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol?
The IUPAC name of [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol (CID 10180695) is [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol.
What is the SMILES notation for [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol?
The canonical SMILES for [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol is CCOP(=O)(CC(Nc1cccnc1)c1cc(OC)c(CO)c(OC)c1)OCC.
What is the InChIKey of [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol?
The InChIKey is DVUHJSWQLXRAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N2O6P/c1-5-27-29(24,28-6-2)14-18(22-16-8-7-9-21-12-16)15-10-19(25-3)17(13-23)20(11-15)26-4/h7-12,18,22-23H,5-6,13-14H2,1-4H3.
What are the key properties of [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol?
[4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol has a molecular weight of 424.43 g/mol, XLogP of 4.01, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol is sourced from PubChem (CID 10180695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).