methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate

C15H16N2O2 — CID 172649580

IUPACmethyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
SMILESCCc1ccccc1-c1cnc(N)cc1C(=O)OC
InChIInChI=1S/C15H16N2O2/c1-3-10-6-4-5-7-11(10)13-9-17-14(16)8-12(13)15(18)19-2/h4-9H,3H2,1-2H3,(H2,16,17)
InChIKeyDAMOEMVIIMRQTG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate

methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate (PubChem CID 172649580) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
PubChem CID172649580
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
SMILESCCc1ccccc1-c1cnc(N)cc1C(=O)OC
InChIInChI=1S/C15H16N2O2/c1-3-10-6-4-5-7-11(10)13-9-17-14(16)8-12(13)15(18)19-2/h4-9H,3H2,1-2H3,(H2,16,17)
InChIKeyDAMOEMVIIMRQTG-UHFFFAOYSA-N
XLogP2.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
methyl 5-amino-2-(2-ethoxyphenyl)benzoate
CID 168665379
methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
CID 172649602
methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
CID 172649603
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
2-amino-5-(2-ethylphenoxy)pyridine-4-carboxylic acid
CID 114195655
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
methyl 3-acetylazulene-1-carboxylate
CID 11241652
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate (CID 172649580) is methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate is CCc1ccccc1-c1cnc(N)cc1C(=O)OC.
What is the InChIKey of methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate?
The InChIKey is DAMOEMVIIMRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-10-6-4-5-7-11(10)13-9-17-14(16)8-12(13)15(18)19-2/h4-9H,3H2,1-2H3,(H2,16,17).
What are the key properties of methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate?
methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 172649580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).