4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid

C15H14N4O3 — CID 70924877

IUPAC4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
SMILESCCOc1nc(Nc2ccc(C(=O)O)cc2)cc(N)c1C#N
InChIInChI=1S/C15H14N4O3/c1-2-22-14-11(8-16)12(17)7-13(19-14)18-10-5-3-9(4-6-10)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H3,17,18,19)
InChIKeyZTFDOAAYHAZFKD-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.38
Rot. Bonds5

About 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid

4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid (PubChem CID 70924877) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
PubChem CID70924877
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
SMILESCCOc1nc(Nc2ccc(C(=O)O)cc2)cc(N)c1C#N
InChIInChI=1S/C15H14N4O3/c1-2-22-14-11(8-16)12(17)7-13(19-14)18-10-5-3-9(4-6-10)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H3,17,18,19)
InChIKeyZTFDOAAYHAZFKD-UHFFFAOYSA-N
XLogP2.38
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid?
The IUPAC name of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid (CID 70924877) is 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid is CCOc1nc(Nc2ccc(C(=O)O)cc2)cc(N)c1C#N.
What is the InChIKey of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid?
The InChIKey is ZTFDOAAYHAZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-22-14-11(8-16)12(17)7-13(19-14)18-10-5-3-9(4-6-10)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H3,17,18,19).
What are the key properties of 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid?
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 70924877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).