methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate

C12H14N4O2 — CID 10422017

IUPACmethyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)9-2-3-11(15-6-9)14-5-4-10-7-13-8-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyZYTIQQFPFFXMKP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.25
Rot. Bonds5

About methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate

methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 10422017) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate
PubChem CID10422017
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)9-2-3-11(15-6-9)14-5-4-10-7-13-8-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyZYTIQQFPFFXMKP-UHFFFAOYSA-N
XLogP1.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate (CID 10422017) is methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCCc2cnc[nH]2)nc1.
What is the InChIKey of methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is ZYTIQQFPFFXMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12(17)9-2-3-11(15-6-9)14-5-4-10-7-13-8-16-10/h2-3,6-8H,4-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate?
methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 10422017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).