2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid

C15H14FN3O3 — CID 53224372

IUPAC2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
SMILESCCNC(=O)c1ccc(-c2cnc(N)cc2C(=O)O)cc1F
InChIInChI=1S/C15H14FN3O3/c1-2-18-14(20)9-4-3-8(5-12(9)16)11-7-19-13(17)6-10(11)15(21)22/h3-7H,2H2,1H3,(H2,17,19)(H,18,20)(H,21,22)
InChIKeyPJCNOFUMXIBJME-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid

2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid (PubChem CID 53224372) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
PubChem CID53224372
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
SMILESCCNC(=O)c1ccc(-c2cnc(N)cc2C(=O)O)cc1F
InChIInChI=1S/C15H14FN3O3/c1-2-18-14(20)9-4-3-8(5-12(9)16)11-7-19-13(17)6-10(11)15(21)22/h3-7H,2H2,1H3,(H2,17,19)(H,18,20)(H,21,22)
InChIKeyPJCNOFUMXIBJME-UHFFFAOYSA-N
XLogP1.92
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380
2-chloro-5-(4-ethoxycarbonyl-3-fluorophenyl)pyridine-4-carboxylic acid
CID 53224396
5-(4-carboxy-3-fluorophenyl)-2-chloropyridine-4-carboxylic acid
CID 53223834
3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
CID 86307324
2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
CID 53223665
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
CID 90060790
2-amino-5-(2,5-difluorophenyl)pyridine-4-carboxylic acid
CID 53223084
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
2-amino-5-(4-cyanophenyl)pyridine-4-carboxylic acid
CID 53222623
N-ethyl-2-fluoro-4-(4-oxo-1H-pyridin-2-yl)benzamide
CID 53229627

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid (CID 53224372) is 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid is CCNC(=O)c1ccc(-c2cnc(N)cc2C(=O)O)cc1F.
What is the InChIKey of 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid?
The InChIKey is PJCNOFUMXIBJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-2-18-14(20)9-4-3-8(5-12(9)16)11-7-19-13(17)6-10(11)15(21)22/h3-7H,2H2,1H3,(H2,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid?
2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 53224372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).