[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate

C27H22N2O4 — CID 143295280

IUPAC[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
SMILESCC(C)(c1ccc(OC(=O)c2cccnc2)cc1)c1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C27H22N2O4/c1-27(2,21-7-11-23(12-8-21)32-25(30)19-5-3-15-28-17-19)22-9-13-24(14-10-22)33-26(31)20-6-4-16-29-18-20/h3-18H,1-2H3
InChIKeyZORYNQPNDGZDBZ-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.24
Rot. Bonds6

About [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate

[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate (PubChem CID 143295280) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
PubChem CID143295280
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
SMILESCC(C)(c1ccc(OC(=O)c2cccnc2)cc1)c1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C27H22N2O4/c1-27(2,21-7-11-23(12-8-21)32-25(30)19-5-3-15-28-17-19)22-9-13-24(14-10-22)33-26(31)20-6-4-16-29-18-20/h3-18H,1-2H3
InChIKeyZORYNQPNDGZDBZ-UHFFFAOYSA-N
XLogP5.24
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
2-chloropropan-2-yl pyridine-3-carboperoxoate
CID 87453195
[4-[2-[4-[4-[2-(4-hydroperoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate
CID 118177602
(111C)methyl pyridine-3-carboxylate
CID 11309537
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 3-methylbenzoate
CID 21337971
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate?
The IUPAC name of [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate (CID 143295280) is [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate?
The canonical SMILES for [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate is CC(C)(c1ccc(OC(=O)c2cccnc2)cc1)c1ccc(OC(=O)c2cccnc2)cc1.
What is the InChIKey of [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate?
The InChIKey is ZORYNQPNDGZDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-27(2,21-7-11-23(12-8-21)32-25(30)19-5-3-15-28-17-19)22-9-13-24(14-10-22)33-26(31)20-6-4-16-29-18-20/h3-18H,1-2H3.
What are the key properties of [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate?
[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 143295280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).