6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid

C22H20N2O5 — CID 11188508

IUPAC6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C22H20N2O5/c1-14(2)28-18-10-16(11-19(12-18)29-17-6-4-3-5-7-17)21(25)24-20-9-8-15(13-23-20)22(26)27/h3-14H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyMIIWULADOLVWHB-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.61
Rot. Bonds7

About 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid

6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 11188508) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID11188508
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C22H20N2O5/c1-14(2)28-18-10-16(11-19(12-18)29-17-6-4-3-5-7-17)21(25)24-20-9-8-15(13-23-20)22(26)27/h3-14H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyMIIWULADOLVWHB-UHFFFAOYSA-N
XLogP4.61
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid (CID 11188508) is 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid is CC(C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is MIIWULADOLVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-14(2)28-18-10-16(11-19(12-18)29-17-6-4-3-5-7-17)21(25)24-20-9-8-15(13-23-20)22(26)27/h3-14H,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid?
6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 392.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-phenoxy-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).