ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate

C13H19N3O3 — CID 114047105

IUPACethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(CCO)C1CC1
InChIInChI=1S/C13H19N3O3/c1-2-19-13(18)11-7-9(14)8-15-12(11)16(5-6-17)10-3-4-10/h7-8,10,17H,2-6,14H2,1H3
InChIKeyRBVQFBJOSPDVNV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds6

About ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate

ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate (PubChem CID 114047105) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
PubChem CID114047105
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(CCO)C1CC1
InChIInChI=1S/C13H19N3O3/c1-2-19-13(18)11-7-9(14)8-15-12(11)16(5-6-17)10-3-4-10/h7-8,10,17H,2-6,14H2,1H3
InChIKeyRBVQFBJOSPDVNV-UHFFFAOYSA-N
XLogP0.80
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
CID 102859460
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate
CID 114047771
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate (CID 114047105) is ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1N(CCO)C1CC1.
What is the InChIKey of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
The InChIKey is RBVQFBJOSPDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-19-13(18)11-7-9(14)8-15-12(11)16(5-6-17)10-3-4-10/h7-8,10,17H,2-6,14H2,1H3.
What are the key properties of ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate?
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).