(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

C30H26N2O3 — CID 19099626

IUPAC(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESO=C(O)CCC/C=C(/c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C30H26N2O3/c33-29(34)15-7-6-12-26(24-11-8-20-31-21-24)23-16-18-25(19-17-23)32-30(35)28-14-5-4-13-27(28)22-9-2-1-3-10-22/h1-5,8-14,16-21H,6-7,15H2,(H,32,35)(H,33,34)/b26-12-
InChIKeyIJJJXYJQESBHBK-ZRGSRPPYSA-N
MW462.55 g/mol
LogP6.69
Rot. Bonds9

About (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid (PubChem CID 19099626) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
PubChem CID19099626
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESO=C(O)CCC/C=C(/c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C30H26N2O3/c33-29(34)15-7-6-12-26(24-11-8-20-31-21-24)23-16-18-25(19-17-23)32-30(35)28-14-5-4-13-27(28)22-9-2-1-3-10-22/h1-5,8-14,16-21H,6-7,15H2,(H,32,35)(H,33,34)/b26-12-
InChIKeyIJJJXYJQESBHBK-ZRGSRPPYSA-N
XLogP6.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid with MolForge

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Related Compounds

6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54065609
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099582
(E)-7-(2-bromophenyl)-7-pyridin-3-ylhept-6-enoic acid
CID 13417273
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate
CID 54017112
8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
CID 57268349
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
CID 10320222
6-[3-(naphthalen-1-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54239564
(E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 10002804

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The IUPAC name of (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid (CID 19099626) is (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid.
What is the SMILES notation for (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The canonical SMILES for (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid is O=C(O)CCC/C=C(/c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The InChIKey is IJJJXYJQESBHBK-ZRGSRPPYSA-N. The full InChI is InChI=1S/C30H26N2O3/c33-29(34)15-7-6-12-26(24-11-8-20-31-21-24)23-16-18-25(19-17-23)32-30(35)28-14-5-4-13-27(28)22-9-2-1-3-10-22/h1-5,8-14,16-21H,6-7,15H2,(H,32,35)(H,33,34)/b26-12-.
What are the key properties of (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid?
(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid has a molecular weight of 462.55 g/mol, XLogP of 6.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid is sourced from PubChem (CID 19099626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).