[2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate

C25H24N2O5 — CID 20535251

IUPAC[2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate
SMILESCc1ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2OC(=O)c2ccccn2)cc1
InChIInChI=1S/C25H24N2O5/c1-16(2)27-15-21(28)19-11-12-22(31-24(29)18-9-7-17(3)8-10-18)23(14-19)32-25(30)20-6-4-5-13-26-20/h4-14,16,27H,15H2,1-3H3
InChIKeyQULYLTGXGIQJBP-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.01
Rot. Bonds8

About [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate

[2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate (PubChem CID 20535251) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate
PubChem CID20535251
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate
SMILESCc1ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2OC(=O)c2ccccn2)cc1
InChIInChI=1S/C25H24N2O5/c1-16(2)27-15-21(28)19-11-12-22(31-24(29)18-9-7-17(3)8-10-18)23(14-19)32-25(30)20-6-4-5-13-26-20/h4-14,16,27H,15H2,1-3H3
InChIKeyQULYLTGXGIQJBP-UHFFFAOYSA-N
XLogP4.01
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methylbenzoyl)oxy-4-[2-(propan-2-ylamino)acetyl]phenyl] 4-methylbenzoate
CID 13080773
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
[5-[2-(tert-butylamino)acetyl]-2-(4-methylphenoxy)phenyl] benzoate;methanesulfonic acid;hydrate
CID 88753442
[4-[2-(tert-butylamino)acetyl]-2-(4-tert-butylbenzoyl)oxyphenyl] 4-tert-butylbenzoate
CID 20535369
[4-[1-hydroxy-2-(methylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 13080818
(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate
CID 166584107
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
[4-(2-chloro-1-hydroxyethyl)-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 12800316
[4-(2-amino-3,3-dimethylbutanoyl)-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 70552937
ethyl pyridine-2-carboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate?
The IUPAC name of [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate (CID 20535251) is [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate is Cc1ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2OC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate?
The InChIKey is QULYLTGXGIQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16(2)27-15-21(28)19-11-12-22(31-24(29)18-9-7-17(3)8-10-18)23(14-19)32-25(30)20-6-4-5-13-26-20/h4-14,16,27H,15H2,1-3H3.
What are the key properties of [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate?
[2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylbenzoyl)oxy-5-[2-(propan-2-ylamino)acetyl]phenyl] pyridine-2-carboxylate is sourced from PubChem (CID 20535251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).