6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid

C20H26N2O3 — CID 24857921

IUPAC6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid
SMILESCCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C20H26N2O3/c1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5/h7-14H,6H2,1-5H3,(H,23,24)
InChIKeyYHELAIIDVSNOPG-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.85
Rot. Bonds7

About 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid

6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid (PubChem CID 24857921) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid
PubChem CID24857921
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid
SMILESCCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C20H26N2O3/c1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5/h7-14H,6H2,1-5H3,(H,23,24)
InChIKeyYHELAIIDVSNOPG-UHFFFAOYSA-N
XLogP4.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((3,5-Difluoro-3'-methoxy-1,1'-biphenyl-4-yl)amino)nicotinic acid
CID 24986824
6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nicotinic acid
CID 25006094
6-[Ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
CID 73775427
2-(4-Methoxy-phenylamino)-nicotinic acid
CID 748369
6-[Ethyl-(4-isopropyl-3-propoxyphenyl)amino]nicotinic acid
CID 25006098
6-[Ethyl-(4-isopropyl-3-pentyloxyphenyl)amino]nicotinic acid
CID 49870965
6-[(3-Benzyloxy-4-isopropylphenyl)-ethylamino]nicotinic acid
CID 49870966
(E)-6-(Ethyl(5-isobutoxy-4-isopropyl-2-styrylphenyl)amino)nicotinic acid
CID 56840445
2-[3-[[2-(Trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 162666593
6-{Ethyl-[4-isopropyl-3-(3-phenylpropoxy)phenyl]amino}nicotinic acid
CID 46893394
6-[(3-Cyclopropylmethoxy-4-isopropylphenyl)-ethylamino]nicotinic acid
CID 49870954
6-[Ethyl-(3-hexyloxy-4-isopropylphenyl)amino]nicotinic acid
CID 53318572

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid (CID 24857921) is 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid is CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid?
The InChIKey is YHELAIIDVSNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-22(19-10-7-15(12-21-19)20(23)24)16-8-9-17(13(2)3)18(11-16)25-14(4)5/h7-14H,6H2,1-5H3,(H,23,24).
What are the key properties of 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid?
6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-4-propan-2-yl-3-propan-2-yloxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 24857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).