6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

C28H25N3O3S — CID 59371230

IUPAC6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(c3ccc(NC(=O)c4cc(-c5ccccc5)cs4)cc3)CC2)nc1
InChIInChI=1S/C28H25N3O3S/c32-27(25-16-23(18-35-25)19-4-2-1-3-5-19)30-24-9-6-20(7-10-24)21-12-14-31(15-13-21)26-11-8-22(17-29-26)28(33)34/h1-11,16-18,21H,12-15H2,(H,30,32)(H,33,34)
InChIKeyPZLZNPDGRCCEHL-UHFFFAOYSA-N
MW483.59 g/mol
LogP6.14
Rot. Bonds6

About 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 59371230) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID59371230
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC Name6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(c3ccc(NC(=O)c4cc(-c5ccccc5)cs4)cc3)CC2)nc1
InChIInChI=1S/C28H25N3O3S/c32-27(25-16-23(18-35-25)19-4-2-1-3-5-19)30-24-9-6-20(7-10-24)21-12-14-31(15-13-21)26-11-8-22(17-29-26)28(33)34/h1-11,16-18,21H,12-15H2,(H,30,32)(H,33,34)
InChIKeyPZLZNPDGRCCEHL-UHFFFAOYSA-N
XLogP6.14
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 59371230) is 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(c3ccc(NC(=O)c4cc(-c5ccccc5)cs4)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PZLZNPDGRCCEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c32-27(25-16-23(18-35-25)19-4-2-1-3-5-19)30-24-9-6-20(7-10-24)21-12-14-31(15-13-21)26-11-8-22(17-29-26)28(33)34/h1-11,16-18,21H,12-15H2,(H,30,32)(H,33,34).
What are the key properties of 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 483.59 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(4-phenylthiophene-2-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59371230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).