[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate

C19H19Cl2N3O4 — CID 24817988

IUPAC[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(CC(=O)OC(C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O4/c1-11(19(27)24-18-15(21)8-14(20)10-22-18)28-17(26)9-16(23-12(2)25)13-6-4-3-5-7-13/h3-8,10-11,16H,9H2,1-2H3,(H,23,25)(H,22,24,27)
InChIKeyHLNDCFSIRXNQES-UHFFFAOYSA-N
MW424.28 g/mol
LogP3.53
Rot. Bonds7

About [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate

[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate (PubChem CID 24817988) has the molecular formula C19H19Cl2N3O4 and a molecular weight of 424.28 g/mol. Its IUPAC name is [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate
PubChem CID24817988
Molecular FormulaC19H19Cl2N3O4
Molecular Weight424.28 g/mol
Exact Mass423.08
IUPAC Name[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(CC(=O)OC(C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2N3O4/c1-11(19(27)24-18-15(21)8-14(20)10-22-18)28-17(26)9-16(23-12(2)25)13-6-4-3-5-7-13/h3-8,10-11,16H,9H2,1-2H3,(H,23,25)(H,22,24,27)
InChIKeyHLNDCFSIRXNQES-UHFFFAOYSA-N
XLogP3.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate 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 [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate?
The IUPAC name of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate (CID 24817988) is [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate?
The canonical SMILES for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate is CC(=O)NC(CC(=O)OC(C)C(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate?
The InChIKey is HLNDCFSIRXNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4/c1-11(19(27)24-18-15(21)8-14(20)10-22-18)28-17(26)9-16(23-12(2)25)13-6-4-3-5-7-13/h3-8,10-11,16H,9H2,1-2H3,(H,23,25)(H,22,24,27).
What are the key properties of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate?
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate has a molecular weight of 424.28 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 24817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).