ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate

C14H18N4O2 — CID 104530067

IUPACethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCn1cc(C)cn1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)12-5-4-6-15-13(12)16-7-8-18-10-11(2)9-17-18/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyISCSZVNLSPQRFW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds6

About ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate

ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 104530067) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
PubChem CID104530067
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCn1cc(C)cn1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)12-5-4-6-15-13(12)16-7-8-18-10-11(2)9-17-18/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyISCSZVNLSPQRFW-UHFFFAOYSA-N
XLogP1.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-(4-methylpyrazol-1-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 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate
CID 115320159
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
CID 103748346
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 104969986
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 80688609
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate (CID 104530067) is ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCn1cc(C)cn1.
What is the InChIKey of ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is ISCSZVNLSPQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-14(19)12-5-4-6-15-13(12)16-7-8-18-10-11(2)9-17-18/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 104530067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).