[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate

C21H24N2O3 — CID 55473455

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C21H24N2O3/c1-5-23(13-15(2)3)20(24)14-26-21(25)18-11-12-19(22-16(18)4)17-9-7-6-8-10-17/h6-12H,2,5,13-14H2,1,3-4H3
InChIKeyGHYFKGHWCMTGKB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds7

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 55473455) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID55473455
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C21H24N2O3/c1-5-23(13-15(2)3)20(24)14-26-21(25)18-11-12-19(22-16(18)4)17-9-7-6-8-10-17/h6-12H,2,5,13-14H2,1,3-4H3
InChIKeyGHYFKGHWCMTGKB-UHFFFAOYSA-N
XLogP3.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55473548
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 18077413
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55325115
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate (CID 55473455) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate is C=C(C)CN(CC)C(=O)COC(=O)c1ccc(-c2ccccc2)nc1C.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is GHYFKGHWCMTGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-5-23(13-15(2)3)20(24)14-26-21(25)18-11-12-19(22-16(18)4)17-9-7-6-8-10-17/h6-12H,2,5,13-14H2,1,3-4H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 55473455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).