2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid

C22H21N3O3 — CID 68916434

IUPAC2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(-c2ccccc2)nc1NCCc1ccccc1
InChIInChI=1S/C22H21N3O3/c26-20(27)15-24-22(28)18-11-12-19(17-9-5-2-6-10-17)25-21(18)23-14-13-16-7-3-1-4-8-16/h1-12H,13-15H2,(H,23,25)(H,24,28)(H,26,27)
InChIKeyAZPPBIUPROHHGP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.22
Rot. Bonds8

About 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid

2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 68916434) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid
PubChem CID68916434
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(-c2ccccc2)nc1NCCc1ccccc1
InChIInChI=1S/C22H21N3O3/c26-20(27)15-24-22(28)18-11-12-19(17-9-5-2-6-10-17)25-21(18)23-14-13-16-7-3-1-4-8-16/h1-12H,13-15H2,(H,23,25)(H,24,28)(H,26,27)
InChIKeyAZPPBIUPROHHGP-UHFFFAOYSA-N
XLogP3.22
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid (CID 68916434) is 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(-c2ccccc2)nc1NCCc1ccccc1.
What is the InChIKey of 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is AZPPBIUPROHHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-20(27)15-24-22(28)18-11-12-19(17-9-5-2-6-10-17)25-21(18)23-14-13-16-7-3-1-4-8-16/h1-12H,13-15H2,(H,23,25)(H,24,28)(H,26,27).
What are the key properties of 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid?
2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 375.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-phenyl-2-(2-phenylethylamino)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 68916434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).