2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid

C21H19ClN2O2 — CID 162657906

IUPAC2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-21(2,20(25)26)16-7-3-13(4-8-16)15-11-18(19(23)24-12-15)14-5-9-17(22)10-6-14/h3-12H,1-2H3,(H2,23,24)(H,25,26)
InChIKeyNWTYEXPPVFBYDG-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.01
Rot. Bonds4

About 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid

2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid (PubChem CID 162657906) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
PubChem CID162657906
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-21(2,20(25)26)16-7-3-13(4-8-16)15-11-18(19(23)24-12-15)14-5-9-17(22)10-6-14/h3-12H,1-2H3,(H2,23,24)(H,25,26)
InChIKeyNWTYEXPPVFBYDG-UHFFFAOYSA-N
XLogP5.01
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 126480545
CID 126480545
CID 127036952
CID 127036952
CID 162645224
CID 162645224
CID 162646873
CID 162646873
CID 162649391
CID 162649391
CID 162651331
CID 162651331
CID 162656879
CID 162656879
CID 162663752
CID 162663752
CID 162666631
CID 162666631
CID 162666892
CID 162666892
CID 162669494
CID 162669494
CID 162671261
CID 162671261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid (CID 162657906) is 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid?
The InChIKey is NWTYEXPPVFBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-21(2,20(25)26)16-7-3-13(4-8-16)15-11-18(19(23)24-12-15)14-5-9-17(22)10-6-14/h3-12H,1-2H3,(H2,23,24)(H,25,26).
What are the key properties of 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid?
2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid has a molecular weight of 366.85 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 162657906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).