methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate

C13H21N3O3 — CID 114405754

IUPACmethyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
SMILESCCCCN(CCO)c1nc(C(=O)OC)ccc1N
InChIInChI=1S/C13H21N3O3/c1-3-4-7-16(8-9-17)12-10(14)5-6-11(15-12)13(18)19-2/h5-6,17H,3-4,7-9,14H2,1-2H3
InChIKeyOMZVUNIPJZVGCH-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.05
Rot. Bonds7

About methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate (PubChem CID 114405754) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
PubChem CID114405754
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
SMILESCCCCN(CCO)c1nc(C(=O)OC)ccc1N
InChIInChI=1S/C13H21N3O3/c1-3-4-7-16(8-9-17)12-10(14)5-6-11(15-12)13(18)19-2/h5-6,17H,3-4,7-9,14H2,1-2H3
InChIKeyOMZVUNIPJZVGCH-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

methyl 6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403802
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114406141
methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
CID 114407218
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-(3-hydroxypropylsulfanyl)pyridine-2-carboxylate
CID 114409757
methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
CID 114405544
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
methyl 5-amino-6-[3-(dimethylamino)propoxy]pyridine-2-carboxylate
CID 114408846
methyl 5-amino-6-[2-cyanoethyl(cyclopropyl)amino]pyridine-2-carboxylate
CID 114406058

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate (CID 114405754) is methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate is CCCCN(CCO)c1nc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate?
The InChIKey is OMZVUNIPJZVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-4-7-16(8-9-17)12-10(14)5-6-11(15-12)13(18)19-2/h5-6,17H,3-4,7-9,14H2,1-2H3.
What are the key properties of methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-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 methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).