ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate

C15H23N3O3 — CID 107407274

IUPACethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N2CCCC(C)(O)CC2)c1N
InChIInChI=1S/C15H23N3O3/c1-3-21-14(19)11-5-8-17-13(12(11)16)18-9-4-6-15(2,20)7-10-18/h5,8,20H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyOOXYFDFRYBDIBG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds3

About ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate

ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate (PubChem CID 107407274) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
PubChem CID107407274
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N2CCCC(C)(O)CC2)c1N
InChIInChI=1S/C15H23N3O3/c1-3-21-14(19)11-5-8-17-13(12(11)16)18-9-4-6-15(2,20)7-10-18/h5,8,20H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyOOXYFDFRYBDIBG-UHFFFAOYSA-N
XLogP1.58
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-(4-hydroxy-4-methylazepan-1-yl)benzoate
CID 107407268
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
ethyl 3-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzoate
CID 103357703
ethyl 2-amino-5-(4,4-dimethylazepan-1-yl)benzoate
CID 65286422
ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate
CID 169263973
ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate
CID 79873423
ethyl 5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 107405164
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
ethyl 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103506587
ethyl 2-amino-3-(azocan-1-yl)benzoate
CID 115544638
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate (CID 107407274) is ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(N2CCCC(C)(O)CC2)c1N.
What is the InChIKey of ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate?
The InChIKey is OOXYFDFRYBDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-14(19)11-5-8-17-13(12(11)16)18-9-4-6-15(2,20)7-10-18/h5,8,20H,3-4,6-7,9-10,16H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate?
ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 107407274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).