6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

C22H21N3O6 — CID 67489827

IUPAC6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2cc(C(=O)Nc3ccc(C(=O)O)cn3)cc(OC(C)C)n2)cc1
InChIInChI=1S/C22H21N3O6/c1-13(2)30-19-10-15(21(26)24-18-9-4-14(12-23-18)22(27)28)11-20(25-19)31-17-7-5-16(29-3)6-8-17/h4-13H,1-3H3,(H,27,28)(H,23,24,26)
InChIKeyAUWKILVARCPCGP-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.02
Rot. Bonds8

About 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 67489827) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID67489827
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2cc(C(=O)Nc3ccc(C(=O)O)cn3)cc(OC(C)C)n2)cc1
InChIInChI=1S/C22H21N3O6/c1-13(2)30-19-10-15(21(26)24-18-9-4-14(12-23-18)22(27)28)11-20(25-19)31-17-7-5-16(29-3)6-8-17/h4-13H,1-3H3,(H,27,28)(H,23,24,26)
InChIKeyAUWKILVARCPCGP-UHFFFAOYSA-N
XLogP4.02
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 67489827) is 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is COc1ccc(Oc2cc(C(=O)Nc3ccc(C(=O)O)cn3)cc(OC(C)C)n2)cc1.
What is the InChIKey of 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is AUWKILVARCPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-13(2)30-19-10-15(21(26)24-18-9-4-14(12-23-18)22(27)28)11-20(25-19)31-17-7-5-16(29-3)6-8-17/h4-13H,1-3H3,(H,27,28)(H,23,24,26).
What are the key properties of 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 423.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67489827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).