6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid

C20H26N2O4 — CID 46893393

IUPAC6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid
SMILESCCN(c1ccc(C(C)C)c(OCCOC)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
InChIKeyVVNCNFPVMMKHFN-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.09
Rot. Bonds9

About 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid

6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid (PubChem CID 46893393) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid
PubChem CID46893393
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid
SMILESCCN(c1ccc(C(C)C)c(OCCOC)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
InChIKeyVVNCNFPVMMKHFN-UHFFFAOYSA-N
XLogP4.09
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-cyclopropyloxy-N-ethyl-4-propan-2-ylanilino)pyridine-3-carboxylic acid
CID 102485294
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
4-[3-[2-(dimethylamino)ethoxy]-N-ethyl-4-propan-2-ylanilino]pyridine-3-carboxylic acid
CID 158732352
ethane;methyl 6-[N-ethyl-2-methyl-5-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylate
CID 145321901
methyl 4-[N-ethyl-3-(3-phenylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylate
CID 172681586
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
6-[(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)-ethylamino]pyridine-3-carboxylic acid
CID 10177699
6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid
CID 115268236
6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 55137664
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352

Frequently Asked Questions

What is the IUPAC name of 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid (CID 46893393) is 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid is CCN(c1ccc(C(C)C)c(OCCOC)c1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid?
The InChIKey is VVNCNFPVMMKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24).
What are the key properties of 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid?
6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 46893393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).