5-(4-methoxyanilino)pyridine-3-carboxylic acid

C13H12N2O3 — CID 82535078

IUPAC5-(4-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H12N2O3/c1-18-12-4-2-10(3-5-12)15-11-6-9(13(16)17)7-14-8-11/h2-8,15H,1H3,(H,16,17)
InChIKeyMRISSIPMKHKJNV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.53
Rot. Bonds4

About 5-(4-methoxyanilino)pyridine-3-carboxylic acid

5-(4-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 82535078) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(4-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID82535078
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-(4-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H12N2O3/c1-18-12-4-2-10(3-5-12)15-11-6-9(13(16)17)7-14-8-11/h2-8,15H,1H3,(H,16,17)
InChIKeyMRISSIPMKHKJNV-UHFFFAOYSA-N
XLogP2.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
N-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245369
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-methoxyanilino)pyridine-3-carboxylic acid (CID 82535078) is 5-(4-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxyanilino)pyridine-3-carboxylic acid is COc1ccc(Nc2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is MRISSIPMKHKJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-12-4-2-10(3-5-12)15-11-6-9(13(16)17)7-14-8-11/h2-8,15H,1H3,(H,16,17).
What are the key properties of 5-(4-methoxyanilino)pyridine-3-carboxylic acid?
5-(4-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82535078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).