[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

C21H22N4O3 — CID 18166861

IUPAC[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)c2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-16-5-7-17(8-6-16)15(2)24-20(26)14-28-21(27)18-9-10-19(22-13-18)25-12-4-11-23-25/h4-13,15H,3,14H2,1-2H3,(H,24,26)
InChIKeyVNBNPNQWZAWREW-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.86
Rot. Bonds7

About [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 18166861) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID18166861
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)c2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-16-5-7-17(8-6-16)15(2)24-20(26)14-28-21(27)18-9-10-19(22-13-18)25-12-4-11-23-25/h4-13,15H,3,14H2,1-2H3,(H,24,26)
InChIKeyVNBNPNQWZAWREW-UHFFFAOYSA-N
XLogP2.86
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021492
[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522760
N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55523156
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55521972
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522398
[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522222
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate (CID 18166861) is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is CCc1ccc(C(C)NC(=O)COC(=O)c2ccc(-n3cccn3)nc2)cc1.
What is the InChIKey of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is VNBNPNQWZAWREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-16-5-7-17(8-6-16)15(2)24-20(26)14-28-21(27)18-9-10-19(22-13-18)25-12-4-11-23-25/h4-13,15H,3,14H2,1-2H3,(H,24,26).
What are the key properties of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 18166861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).