ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate

C13H16N4O2 — CID 82535225

IUPACethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NCc2nccn2C)c1
InChIInChI=1S/C13H16N4O2/c1-3-19-13(18)10-6-11(8-14-7-10)16-9-12-15-4-5-17(12)2/h4-8,16H,3,9H2,1-2H3
InChIKeyWUFXMMKZTUYGER-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.60
Rot. Bonds5

About ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate

ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate (PubChem CID 82535225) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
PubChem CID82535225
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NCc2nccn2C)c1
InChIInChI=1S/C13H16N4O2/c1-3-19-13(18)10-6-11(8-14-7-10)16-9-12-15-4-5-17(12)2/h4-8,16H,3,9H2,1-2H3
InChIKeyWUFXMMKZTUYGER-UHFFFAOYSA-N
XLogP1.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 5-[(4-methoxycarbonylphenyl)methylamino]pyridine-3-carboxylate
CID 110453092
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate
CID 110453095
ethyl 4-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzoate
CID 82775115
4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one
CID 114392212
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
methyl 3-amino-4-[(1-methylimidazol-2-yl)methylamino]benzoate
CID 63296011
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
ethyl 3-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66118702

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate (CID 82535225) is ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cncc(NCc2nccn2C)c1.
What is the InChIKey of ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is WUFXMMKZTUYGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-13(18)10-6-11(8-14-7-10)16-9-12-15-4-5-17(12)2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate?
ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 82535225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).