2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid

C22H25FN2O3 — CID 71087929

IUPAC2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(=O)O
InChIInChI=1S/C22H25FN2O3/c1-3-22(4-2,21(27)28)25-20(26)18-12-11-17(15-7-8-15)19(24-18)13-14-5-9-16(23)10-6-14/h5-6,9-12,15H,3-4,7-8,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyXDTGERQAJDMMAN-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.06
Rot. Bonds8

About 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid

2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid (PubChem CID 71087929) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
PubChem CID71087929
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(=O)O
InChIInChI=1S/C22H25FN2O3/c1-3-22(4-2,21(27)28)25-20(26)18-12-11-17(15-7-8-15)19(24-18)13-14-5-9-16(23)10-6-14/h5-6,9-12,15H,3-4,7-8,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyXDTGERQAJDMMAN-UHFFFAOYSA-N
XLogP4.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid (CID 71087929) is 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid?
The InChIKey is XDTGERQAJDMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-3-22(4-2,21(27)28)25-20(26)18-12-11-17(15-7-8-15)19(24-18)13-14-5-9-16(23)10-6-14/h5-6,9-12,15H,3-4,7-8,13H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid?
2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid has a molecular weight of 384.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carbonyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 71087929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).