6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid

C27H24N2O5 — CID 87361978

IUPAC6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid
SMILESCOc1cccc(C(ONc2ccc(C(=O)O)cn2)(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C27H24N2O5/c1-32-23-15-9-14-22(25(23)33-2)27(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-29-24-17-16-19(18-28-24)26(30)31/h3-18H,1-2H3,(H,28,29)(H,30,31)
InChIKeyBMQHAAIVTCTBRM-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.13
Rot. Bonds9

About 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid

6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid (PubChem CID 87361978) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid
PubChem CID87361978
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid
SMILESCOc1cccc(C(ONc2ccc(C(=O)O)cn2)(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C27H24N2O5/c1-32-23-15-9-14-22(25(23)33-2)27(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-29-24-17-16-19(18-28-24)26(30)31/h3-18H,1-2H3,(H,28,29)(H,30,31)
InChIKeyBMQHAAIVTCTBRM-UHFFFAOYSA-N
XLogP5.13
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
CID 67379044
2-(2,2-dihydroxyethylsulfonyl)ethane-1,1-diol;1-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]-diphenylmethyl]-2,3-dimethoxybenzene
CID 70298828
6-(2-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
CID 55136319
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
3-[(2,3-dimethoxyphenyl)-diphenylmethoxy]carbonyltridecanoic acid
CID 67677231
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189988
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid (CID 87361978) is 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid is COc1cccc(C(ONc2ccc(C(=O)O)cn2)(c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid?
The InChIKey is BMQHAAIVTCTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-32-23-15-9-14-22(25(23)33-2)27(20-10-5-3-6-11-20,21-12-7-4-8-13-21)34-29-24-17-16-19(18-28-24)26(30)31/h3-18H,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid?
6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid has a molecular weight of 456.50 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 87361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).