methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate

C14H21N3O2 — CID 114406962

IUPACmethyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-13(2)12(14(13,3)4)17-10-8(15)6-7-9(16-10)11(18)19-5/h6-7,12H,15H2,1-5H3,(H,16,17)
InChIKeyKZLKHHCTGCZSQT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.30
Rot. Bonds3

About methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate (PubChem CID 114406962) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
PubChem CID114406962
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-13(2)12(14(13,3)4)17-10-8(15)6-7-9(16-10)11(18)19-5/h6-7,12H,15H2,1-5H3,(H,16,17)
InChIKeyKZLKHHCTGCZSQT-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]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-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034
methyl 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylate
CID 114405790
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate (CID 114406962) is methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NC2C(C)(C)C2(C)C)n1.
What is the InChIKey of methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate?
The InChIKey is KZLKHHCTGCZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2)12(14(13,3)4)17-10-8(15)6-7-9(16-10)11(18)19-5/h6-7,12H,15H2,1-5H3,(H,16,17).
What are the key properties of methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114406962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).