methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate

C15H23N3O2 — CID 114406752

IUPACmethyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate
SMILESCCC1CCCN(c2nc(C(=O)OC)ccc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-3-11-5-4-9-18(10-8-11)14-12(16)6-7-13(17-14)15(19)20-2/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyIVGIOBUZIOIKCZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.47
Rot. Bonds3

About methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate

methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate (PubChem CID 114406752) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate
PubChem CID114406752
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate
SMILESCCC1CCCN(c2nc(C(=O)OC)ccc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-3-11-5-4-9-18(10-8-11)14-12(16)6-7-13(17-14)15(19)20-2/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyIVGIOBUZIOIKCZ-UHFFFAOYSA-N
XLogP2.47
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate
CID 114406755
methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406710
methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406024
methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
CID 114405514
methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
CID 114404917
methyl 5-amino-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406868
methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 114406547
methyl 5-amino-6-(4-methylsulfonylpiperazin-1-yl)pyridine-2-carboxylate
CID 114406519
methyl 2-amino-3-(4-ethylazepan-1-yl)benzoate
CID 115546284
methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate
CID 114407326
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 2-(4-ethylazepan-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307228

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate (CID 114406752) is methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate is CCC1CCCN(c2nc(C(=O)OC)ccc2N)CC1.
What is the InChIKey of methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate?
The InChIKey is IVGIOBUZIOIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11-5-4-9-18(10-8-11)14-12(16)6-7-13(17-14)15(19)20-2/h6-7,11H,3-5,8-10,16H2,1-2H3.
What are the key properties of methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate?
methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 114406752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).