methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate

C12H19N3O3 — CID 104765047

IUPACmethyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCC(C)(C)OC)c1N
InChIInChI=1S/C12H19N3O3/c1-12(2,18-4)7-15-10-9(13)8(5-6-14-10)11(16)17-3/h5-6H,7,13H2,1-4H3,(H,14,15)
InChIKeyMKEFLFVGNADSFW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.29
Rot. Bonds5

About methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate

methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate (PubChem CID 104765047) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
PubChem CID104765047
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCC(C)(C)OC)c1N
InChIInChI=1S/C12H19N3O3/c1-12(2,18-4)7-15-10-9(13)8(5-6-14-10)11(16)17-3/h5-6H,7,13H2,1-4H3,(H,14,15)
InChIKeyMKEFLFVGNADSFW-UHFFFAOYSA-N
XLogP1.29
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-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 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
3-amino-2-(2,2-dimethylbutylamino)pyridine-4-carboxylic acid
CID 103464069
methyl 3-amino-2-(piperidin-1-ylamino)pyridine-4-carboxylate
CID 83022806
methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
CID 107817832
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate (CID 104765047) is methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NCC(C)(C)OC)c1N.
What is the InChIKey of methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The InChIKey is MKEFLFVGNADSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,18-4)7-15-10-9(13)8(5-6-14-10)11(16)17-3/h5-6H,7,13H2,1-4H3,(H,14,15).
What are the key properties of methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate?
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 104765047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).