6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid

C26H26N2O4 — CID 10274300

IUPAC6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C26H26N2O4/c29-25(28-24-15-12-20(17-27-24)26(30)31)23(16-18-6-4-5-7-18)19-10-13-22(14-11-19)32-21-8-2-1-3-9-21/h1-3,8-15,17-18,23H,4-7,16H2,(H,30,31)(H,27,28,29)
InChIKeyZICAYCLFLSKQIT-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.87
Rot. Bonds8

About 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid

6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid (PubChem CID 10274300) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
PubChem CID10274300
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C26H26N2O4/c29-25(28-24-15-12-20(17-27-24)26(30)31)23(16-18-6-4-5-7-18)19-10-13-22(14-11-19)32-21-8-2-1-3-9-21/h1-3,8-15,17-18,23H,4-7,16H2,(H,30,31)(H,27,28,29)
InChIKeyZICAYCLFLSKQIT-UHFFFAOYSA-N
XLogP5.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylate
CID 67483378
2-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22467927
[4-[3-cyclopentyl-1-[(5-methoxycarbonyl-2-pyridinyl)amino]-1-oxopropan-2-yl]phenyl]methanesulfinic acid
CID 174382331
6-[[3-cyclopentyl-2-[4-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]phenyl]propanoyl]amino]pyridine-3-carboxylic acid
CID 174556497
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
ethyl 2-[2-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86584138
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23394564
3-cyclohexyl-N-hydroxy-2-phenylpropanamide
CID 167915890
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide
CID 22315324
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid (CID 10274300) is 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ZICAYCLFLSKQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c29-25(28-24-15-12-20(17-27-24)26(30)31)23(16-18-6-4-5-7-18)19-10-13-22(14-11-19)32-21-8-2-1-3-9-21/h1-3,8-15,17-18,23H,4-7,16H2,(H,30,31)(H,27,28,29).
What are the key properties of 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid?
6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 10274300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).