ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate

C16H19N3O2 — CID 60868679

IUPACethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)Cc1ccccc1N
InChIInChI=1S/C16H19N3O2/c1-3-21-16(20)13-8-6-10-18-15(13)19(2)11-12-7-4-5-9-14(12)17/h4-10H,3,11,17H2,1-2H3
InChIKeyDIXKIDZJAUJJRN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds5

About ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate

ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate (PubChem CID 60868679) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
PubChem CID60868679
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)Cc1ccccc1N
InChIInChI=1S/C16H19N3O2/c1-3-21-16(20)13-8-6-10-18-15(13)19(2)11-12-7-4-5-9-14(12)17/h4-10H,3,11,17H2,1-2H3
InChIKeyDIXKIDZJAUJJRN-UHFFFAOYSA-N
XLogP2.48
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
N-methyl-2-[methyl(naphthalen-1-ylmethyl)amino]pyridine-3-carboxamide
CID 133318528
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate (CID 60868679) is ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)Cc1ccccc1N.
What is the InChIKey of ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate?
The InChIKey is DIXKIDZJAUJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-16(20)13-8-6-10-18-15(13)19(2)11-12-7-4-5-9-14(12)17/h4-10H,3,11,17H2,1-2H3.
What are the key properties of ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate?
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 60868679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).