ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate

C14H21N3O2 — CID 116653490

IUPACethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)C(CN)C1CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)11-5-4-8-16-13(11)17(2)12(9-15)10-6-7-10/h4-5,8,10,12H,3,6-7,9,15H2,1-2H3
InChIKeyOOOHOIYRFOGJRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds6

About ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate

ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate (PubChem CID 116653490) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
PubChem CID116653490
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)C(CN)C1CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)11-5-4-8-16-13(11)17(2)12(9-15)10-6-7-10/h4-5,8,10,12H,3,6-7,9,15H2,1-2H3
InChIKeyOOOHOIYRFOGJRO-UHFFFAOYSA-N
XLogP1.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide
CID 116653439
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653234
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
CID 106738180
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate (CID 116653490) is ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)C(CN)C1CC1.
What is the InChIKey of ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate?
The InChIKey is OOOHOIYRFOGJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-14(18)11-5-4-8-16-13(11)17(2)12(9-15)10-6-7-10/h4-5,8,10,12H,3,6-7,9,15H2,1-2H3.
What are the key properties of ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate?
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 116653490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).