3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid

C21H17ClN2O3 — CID 90093486

IUPAC3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C21H17ClN2O3/c22-16-10-5-4-9-15(16)19(13-20(25)26)24-21(27)18-12-6-11-17(23-18)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,27)(H,25,26)
InChIKeyNSBKROIENLTRLM-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.35
Rot. Bonds6

About 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid

3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 90093486) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID90093486
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C21H17ClN2O3/c22-16-10-5-4-9-15(16)19(13-20(25)26)24-21(27)18-12-6-11-17(23-18)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,27)(H,25,26)
InChIKeyNSBKROIENLTRLM-UHFFFAOYSA-N
XLogP4.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid (CID 90093486) is 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cccc(-c2ccccc2)n1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is NSBKROIENLTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-16-10-5-4-9-15(16)19(13-20(25)26)24-21(27)18-12-6-11-17(23-18)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,27)(H,25,26).
What are the key properties of 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid?
3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 380.83 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[(6-phenylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 90093486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).