6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid

C28H24N2O3 — CID 54065609

IUPAC6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESO=C(O)CCCC=C(c1ccc(NC(=O)c2cccc3ccccc23)cc1)c1cccnc1
InChIInChI=1S/C28H24N2O3/c31-27(32)13-4-3-10-24(22-9-6-18-29-19-22)21-14-16-23(17-15-21)30-28(33)26-12-5-8-20-7-1-2-11-25(20)26/h1-2,5-12,14-19H,3-4,13H2,(H,30,33)(H,31,32)
InChIKeyMCSPEKWSRTYVHV-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.17
Rot. Bonds8

About 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid

6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid (PubChem CID 54065609) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid.

Molecular Properties

Compound Name6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
PubChem CID54065609
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
SMILESO=C(O)CCCC=C(c1ccc(NC(=O)c2cccc3ccccc23)cc1)c1cccnc1
InChIInChI=1S/C28H24N2O3/c31-27(32)13-4-3-10-24(22-9-6-18-29-19-22)21-14-16-23(17-15-21)30-28(33)26-12-5-8-20-7-1-2-11-25(20)26/h1-2,5-12,14-19H,3-4,13H2,(H,30,33)(H,31,32)
InChIKeyMCSPEKWSRTYVHV-UHFFFAOYSA-N
XLogP6.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099626
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
6-[3-(naphthalen-1-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54239564
(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
6-[3-(naphthalen-2-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54173583
(Z)-6-[3-(naphthalen-2-ylsulfonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099614
(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
(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 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The IUPAC name of 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid (CID 54065609) is 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid.
What is the SMILES notation for 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The canonical SMILES for 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid is O=C(O)CCCC=C(c1ccc(NC(=O)c2cccc3ccccc23)cc1)c1cccnc1.
What is the InChIKey of 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid?
The InChIKey is MCSPEKWSRTYVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c31-27(32)13-4-3-10-24(22-9-6-18-29-19-22)21-14-16-23(17-15-21)30-28(33)26-12-5-8-20-7-1-2-11-25(20)26/h1-2,5-12,14-19H,3-4,13H2,(H,30,33)(H,31,32).
What are the key properties of 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid?
6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid has a molecular weight of 436.51 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid is sourced from PubChem (CID 54065609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).