ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate

C15H20N4O2 — CID 122150645

IUPACethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(C)c2cn(C)nc2C)nc1
InChIInChI=1S/C15H20N4O2/c1-5-21-15(20)12-6-7-14(16-8-12)17-10(2)13-9-19(4)18-11(13)3/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyJNMFLDVHTOUWKO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds5

About ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate

ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 122150645) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
PubChem CID122150645
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(C)c2cn(C)nc2C)nc1
InChIInChI=1S/C15H20N4O2/c1-5-21-15(20)12-6-7-14(16-8-12)17-10(2)13-9-19(4)18-11(13)3/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyJNMFLDVHTOUWKO-UHFFFAOYSA-N
XLogP2.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-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

ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 4-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate
CID 2955199
ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
CID 61064211
ethyl 6-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]pyridine-3-carboxylate
CID 95592424
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122053579
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 65192374
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-4-methylbenzoate
CID 65192221
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate (CID 122150645) is ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC(C)c2cn(C)nc2C)nc1.
What is the InChIKey of ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is JNMFLDVHTOUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-21-15(20)12-6-7-14(16-8-12)17-10(2)13-9-19(4)18-11(13)3/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate?
ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 122150645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).