methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate

C13H16N4O2 — CID 103544227

IUPACmethyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1cccc(C)n1
InChIInChI=1S/C13H16N4O2/c1-4-9-16-11(13(18)19-3)12(14)17(9)10-7-5-6-8(2)15-10/h5-7H,4,14H2,1-3H3
InChIKeyYVCCMWJYHQMJQV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.51
Rot. Bonds3

About methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate (PubChem CID 103544227) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
PubChem CID103544227
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1cccc(C)n1
InChIInChI=1S/C13H16N4O2/c1-4-9-16-11(13(18)19-3)12(14)17(9)10-7-5-6-8(2)15-10/h5-7H,4,14H2,1-3H3
InChIKeyYVCCMWJYHQMJQV-UHFFFAOYSA-N
XLogP1.51
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-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

methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546244
methyl 5-amino-1-(3-chloro-2-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103546323
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(2-bromo-4-methylphenyl)-2-ethylimidazole-4-carboxylate
CID 103544566
methyl 5-amino-1-(2,4-dichlorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544472
methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649031

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate (CID 103544227) is methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1-c1cccc(C)n1.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
The InChIKey is YVCCMWJYHQMJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-9-16-11(13(18)19-3)12(14)17(9)10-7-5-6-8(2)15-10/h5-7H,4,14H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate is sourced from PubChem (CID 103544227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).