methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate

C16H19N3O2 — CID 114406367

IUPACmethyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCCc2cccc(C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(10-11)8-9-18-15-13(17)6-7-14(19-15)16(20)21-2/h3-7,10H,8-9,17H2,1-2H3,(H,18,19)
InChIKeyASBULHGTJQJJPE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.41
Rot. Bonds5

About methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate

methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate (PubChem CID 114406367) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
PubChem CID114406367
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCCc2cccc(C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(10-11)8-9-18-15-13(17)6-7-14(19-15)16(20)21-2/h3-7,10H,8-9,17H2,1-2H3,(H,18,19)
InChIKeyASBULHGTJQJJPE-UHFFFAOYSA-N
XLogP2.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
methyl 3-amino-4-[2-(3-methylphenyl)ethylamino]benzoate
CID 62313420
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
CID 107420380

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate (CID 114406367) is methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NCCc2cccc(C)c2)n1.
What is the InChIKey of methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate?
The InChIKey is ASBULHGTJQJJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-3-5-12(10-11)8-9-18-15-13(17)6-7-14(19-15)16(20)21-2/h3-7,10H,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 114406367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).