4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid

C19H22N2O5 — CID 120517846

IUPAC4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)n1
InChIInChI=1S/C19H22N2O5/c1-11(2)25-16-9-8-13(19(23)24)10-15(16)21-18(22)14-6-5-7-17(20-14)26-12(3)4/h5-12H,1-4H3,(H,21,22)(H,23,24)
InChIKeyIAJNFCYXQOYCQN-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.61
Rot. Bonds7

About 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid

4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid (PubChem CID 120517846) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
PubChem CID120517846
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)n1
InChIInChI=1S/C19H22N2O5/c1-11(2)25-16-9-8-13(19(23)24)10-15(16)21-18(22)14-6-5-7-17(20-14)26-12(3)4/h5-12H,1-4H3,(H,21,22)(H,23,24)
InChIKeyIAJNFCYXQOYCQN-UHFFFAOYSA-N
XLogP3.61
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid with MolForge

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Related Compounds

3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196298
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196570
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196657
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 120517845
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid (CID 120517846) is 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid is CC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)n1.
What is the InChIKey of 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is IAJNFCYXQOYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(2)25-16-9-8-13(19(23)24)10-15(16)21-18(22)14-6-5-7-17(20-14)26-12(3)4/h5-12H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid?
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 358.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 120517846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).