4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid

C16H17N3O3 — CID 142835884

IUPAC4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid
SMILES[H]/N=C(\CCc1ccccn1)c1c(N)ccc(C(=O)O)c1OC
InChIInChI=1S/C16H17N3O3/c1-22-15-11(16(20)21)6-8-13(18)14(15)12(17)7-5-10-4-2-3-9-19-10/h2-4,6,8-9,17H,5,7,18H2,1H3,(H,20,21)/b17-12+
InChIKeyPEZBTSBEDCVHCH-SFQUDFHCSA-N
MW299.33 g/mol
LogP2.37
Rot. Bonds6

About 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid

4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid (PubChem CID 142835884) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid
PubChem CID142835884
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid
SMILES[H]/N=C(\CCc1ccccn1)c1c(N)ccc(C(=O)O)c1OC
InChIInChI=1S/C16H17N3O3/c1-22-15-11(16(20)21)6-8-13(18)14(15)12(17)7-5-10-4-2-3-9-19-10/h2-4,6,8-9,17H,5,7,18H2,1H3,(H,20,21)/b17-12+
InChIKeyPEZBTSBEDCVHCH-SFQUDFHCSA-N
XLogP2.37
TPSA109.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

[1-(6-amino-3-carboxy-2-methoxyphenyl)-3-pyridin-2-ylpropylidene]azanium
CID 142835883
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
4-amino-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enimidoyl]-2-methoxybenzoic acid
CID 142836212
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
6-methyl-2-(2-pyridin-2-ylethoxy)pyridine-3-carboxylic acid
CID 62701733
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
CID 45075115

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid?
The IUPAC name of 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid (CID 142835884) is 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid.
What is the SMILES notation for 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid?
The canonical SMILES for 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid is [H]/N=C(\CCc1ccccn1)c1c(N)ccc(C(=O)O)c1OC.
What is the InChIKey of 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid?
The InChIKey is PEZBTSBEDCVHCH-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-15-11(16(20)21)6-8-13(18)14(15)12(17)7-5-10-4-2-3-9-19-10/h2-4,6,8-9,17H,5,7,18H2,1H3,(H,20,21)/b17-12+.
What are the key properties of 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid?
4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid is sourced from PubChem (CID 142835884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).