[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate

C24H24N2O4 — CID 4844062

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCCCc1ccc(C(=O)COC(=O)c2cccnc2Nc2ccccc2OC)cc1
InChIInChI=1S/C24H24N2O4/c1-3-7-17-11-13-18(14-12-17)21(27)16-30-24(28)19-8-6-15-25-23(19)26-20-9-4-5-10-22(20)29-2/h4-6,8-15H,3,7,16H2,1-2H3,(H,25,26)
InChIKeyYFAAFDMQXPXHNI-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.83
Rot. Bonds9

About [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate

[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate (PubChem CID 4844062) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
PubChem CID4844062
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCCCc1ccc(C(=O)COC(=O)c2cccnc2Nc2ccccc2OC)cc1
InChIInChI=1S/C24H24N2O4/c1-3-7-17-11-13-18(14-12-17)21(27)16-30-24(28)19-8-6-15-25-23(19)26-20-9-4-5-10-22(20)29-2/h4-6,8-15H,3,7,16H2,1-2H3,(H,25,26)
InChIKeyYFAAFDMQXPXHNI-UHFFFAOYSA-N
XLogP4.83
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27908502
phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 41030181
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027534
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027662
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
CID 902764
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 55390017
[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224156
[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4785082
2-(2-methoxyanilino)pyridine-3-carboximidamide
CID 82253401
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7832261

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate (CID 4844062) is [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate is CCCc1ccc(C(=O)COC(=O)c2cccnc2Nc2ccccc2OC)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
The InChIKey is YFAAFDMQXPXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-7-17-11-13-18(14-12-17)21(27)16-30-24(28)19-8-6-15-25-23(19)26-20-9-4-5-10-22(20)29-2/h4-6,8-15H,3,7,16H2,1-2H3,(H,25,26).
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate?
[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 4844062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).