[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate

C20H25N3O3 — CID 17439018

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cccnc1N
InChIInChI=1S/C20H25N3O3/c1-12(2)14-7-5-8-15(13(3)4)18(14)23-17(24)11-26-20(25)16-9-6-10-22-19(16)21/h5-10,12-13H,11H2,1-4H3,(H2,21,22)(H,23,24)
InChIKeyXTKHGWXTNMNKSP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.71
Rot. Bonds6

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate (PubChem CID 17439018) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate
PubChem CID17439018
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cccnc1N
InChIInChI=1S/C20H25N3O3/c1-12(2)14-7-5-8-15(13(3)4)18(14)23-17(24)11-26-20(25)16-9-6-10-22-19(16)21/h5-10,12-13H,11H2,1-4H3,(H2,21,22)(H,23,24)
InChIKeyXTKHGWXTNMNKSP-UHFFFAOYSA-N
XLogP3.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572755
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2689588
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567799
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990116
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] propanoate
CID 7851212
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 40823928
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617741
N-[2,6-di(propan-2-yl)phenyl]-2-[(6-methyl-3-pyridinyl)oxy]acetamide
CID 71882804
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate (CID 17439018) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate is CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cccnc1N.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate?
The InChIKey is XTKHGWXTNMNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12(2)14-7-5-8-15(13(3)4)18(14)23-17(24)11-26-20(25)16-9-6-10-22-19(16)21/h5-10,12-13H,11H2,1-4H3,(H2,21,22)(H,23,24).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate is sourced from PubChem (CID 17439018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).