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

C16H25N3O2 — CID 114406755

IUPACmethyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate
SMILESCCCC1CCCN(c2nc(C(=O)OC)ccc2N)CC1
InChIInChI=1S/C16H25N3O2/c1-3-5-12-6-4-10-19(11-9-12)15-13(17)7-8-14(18-15)16(20)21-2/h7-8,12H,3-6,9-11,17H2,1-2H3
InChIKeyQWUOIXLKIOSXKK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.86
Rot. Bonds4

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

methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate (PubChem CID 114406755) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate
PubChem CID114406755
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namemethyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate
SMILESCCCC1CCCN(c2nc(C(=O)OC)ccc2N)CC1
InChIInChI=1S/C16H25N3O2/c1-3-5-12-6-4-10-19(11-9-12)15-13(17)7-8-14(18-15)16(20)21-2/h7-8,12H,3-6,9-11,17H2,1-2H3
InChIKeyQWUOIXLKIOSXKK-UHFFFAOYSA-N
XLogP2.86
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-6-(4-propylazepan-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 5,6-diamino-2-pyridinecarboxylate
CID 12097747
Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
CID 66545192
Methyl 5,6-diaminopyridine-2-carboxylate hydrochloride
CID 91654429
Methyl 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylate
CID 67417792
methyl (9S)-4-fluoro-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carboxylate
CID 121352499
Methyl 4-fluoro-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carboxylate
CID 121358021
Methyl 5-amino-6-[2-(trifluoromethyl)anilino]pyridine-2-carboxylate
CID 123384083
methyl (9R)-4-fluoro-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carboxylate
CID 140906869
Methyl 5-amino-6-(((1-(fluoromethyl)cyclopropyl)methyl)amino)picolinate
CID 156813690
Methyl 6-[(1-fluorocyclopropyl)methylamino]-5-nitropyridine-2-carboxylate
CID 156900077
Methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate
CID 156900084
Ethyl 5-amino-6-[[1-(fluoromethyl)cyclopropyl]methylamino]pyridine-2-carboxylate
CID 171616414

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate (CID 114406755) is methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate is CCCC1CCCN(c2nc(C(=O)OC)ccc2N)CC1.
What is the InChIKey of methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate?
The InChIKey is QWUOIXLKIOSXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-5-12-6-4-10-19(11-9-12)15-13(17)7-8-14(18-15)16(20)21-2/h7-8,12H,3-6,9-11,17H2,1-2H3.
What are the key properties of methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate?
methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.86, 4 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-propylazepan-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 114406755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).