4-(4-ethoxyanilino)pyridine-2-carboxylic acid

C14H14N2O3 — CID 43326061

IUPAC4-(4-ethoxyanilino)pyridine-2-carboxylic acid
SMILESCCOc1ccc(Nc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-19-12-5-3-10(4-6-12)16-11-7-8-15-13(9-11)14(17)18/h3-9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyYWGWMOGSZNXAMY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.92
Rot. Bonds5

About 4-(4-ethoxyanilino)pyridine-2-carboxylic acid

4-(4-ethoxyanilino)pyridine-2-carboxylic acid (PubChem CID 43326061) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxyanilino)pyridine-2-carboxylic acid
PubChem CID43326061
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(4-ethoxyanilino)pyridine-2-carboxylic acid
SMILESCCOc1ccc(Nc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-19-12-5-3-10(4-6-12)16-11-7-8-15-13(9-11)14(17)18/h3-9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyYWGWMOGSZNXAMY-UHFFFAOYSA-N
XLogP2.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
N-(2-chlorophenyl)-4-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109220864
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-ethoxyanilino)pyridine-2-carboxylic acid (CID 43326061) is 4-(4-ethoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-ethoxyanilino)pyridine-2-carboxylic acid is CCOc1ccc(Nc2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is YWGWMOGSZNXAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-12-5-3-10(4-6-12)16-11-7-8-15-13(9-11)14(17)18/h3-9H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-ethoxyanilino)pyridine-2-carboxylic acid?
4-(4-ethoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43326061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).