ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate

C13H21N3O3 — CID 114195355

IUPACethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1N(CC)CCCO
InChIInChI=1S/C13H21N3O3/c1-3-16(6-5-7-17)11-9-15-12(14)8-10(11)13(18)19-4-2/h8-9,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyXZTSCIVNPMKQPJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.05
Rot. Bonds7

About ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate

ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate (PubChem CID 114195355) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate
PubChem CID114195355
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1N(CC)CCCO
InChIInChI=1S/C13H21N3O3/c1-3-16(6-5-7-17)11-9-15-12(14)8-10(11)13(18)19-4-2/h8-9,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyXZTSCIVNPMKQPJ-UHFFFAOYSA-N
XLogP1.05
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
CID 114194899
ethyl 3-amino-4-[ethyl(3-hydroxypropyl)amino]benzoate
CID 113468914
ethyl 2-amino-5-[butyl(ethyl)amino]-4-fluorobenzoate
CID 63425785
ethyl 2-[3-hydroxypropyl(methyl)amino]-4-methylpyrimidine-5-carboxylate
CID 114230720
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
CID 114230892
5-amino-4-[ethyl(3-hydroxypropyl)amino]-2-fluorobenzoic acid
CID 113468587
2-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carboxamide
CID 114195454
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681
ethyl 4-amino-2-(4-hydroxybutylsulfanyl)pyrimidine-5-carboxylate
CID 78925728

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate (CID 114195355) is ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate is CCOC(=O)c1cc(N)ncc1N(CC)CCCO.
What is the InChIKey of ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate?
The InChIKey is XZTSCIVNPMKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16(6-5-7-17)11-9-15-12(14)8-10(11)13(18)19-4-2/h8-9,17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate?
ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114195355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).