2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid

C25H24N2O3 — CID 71266533

IUPAC2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(-c3cc(NC(=O)C4CCCC4)ccn3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c28-24(29)15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-22(13-14-26-23)27-25(30)21-3-1-2-4-21/h5-14,16,21H,1-4,15H2,(H,28,29)(H,26,27,30)
InChIKeyJIRSRESETXQMMI-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.17
Rot. Bonds6

About 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid

2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid (PubChem CID 71266533) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid
PubChem CID71266533
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(-c3cc(NC(=O)C4CCCC4)ccn3)cc2)cc1
InChIInChI=1S/C25H24N2O3/c28-24(29)15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-22(13-14-26-23)27-25(30)21-3-1-2-4-21/h5-14,16,21H,1-4,15H2,(H,28,29)(H,26,27,30)
InChIKeyJIRSRESETXQMMI-UHFFFAOYSA-N
XLogP5.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis[4-(4-phenyl-2-pyridinyl)phenyl]-5-[2-[4-(4-phenyl-2-pyridinyl)phenyl]acetyl]cyclohexane-1,3-dicarboxamide
CID 161288040
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
2-(3-hydroxy-2-oxoazepan-1-yl)-N-(2-phenyl-4-pyridinyl)acetamide
CID 131962297
N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 159717900
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid (CID 71266533) is 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc(-c3cc(NC(=O)C4CCCC4)ccn3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid?
The InChIKey is JIRSRESETXQMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24(29)15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-22(13-14-26-23)27-25(30)21-3-1-2-4-21/h5-14,16,21H,1-4,15H2,(H,28,29)(H,26,27,30).
What are the key properties of 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid?
2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid has a molecular weight of 400.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(cyclopentanecarbonylamino)-2-pyridinyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 71266533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).