methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate

C9H12N2O2 — CID 155292022

IUPACmethyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
SMILES[2H]C([2H])([2H])N(c1cc(C(=O)OC)ccn1)C([2H])([2H])[2H]
InChIInChI=1S/C9H12N2O2/c1-11(2)8-6-7(4-5-10-8)9(12)13-3/h4-6H,1-3H3/i1D3,2D3
InChIKeyTUBHZFAKIADYFD-WFGJKAKNSA-N
MW186.24 g/mol
LogP0.93
Rot. Bonds4

About methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate

methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate (PubChem CID 155292022) has the molecular formula C9H12N2O2 and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
PubChem CID155292022
Molecular FormulaC9H12N2O2
Molecular Weight186.24 g/mol
Exact Mass186.13
IUPAC Namemethyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
SMILES[2H]C([2H])([2H])N(c1cc(C(=O)OC)ccn1)C([2H])([2H])[2H]
InChIInChI=1S/C9H12N2O2/c1-11(2)8-6-7(4-5-10-8)9(12)13-3/h4-6H,1-3H3/i1D3,2D3
InChIKeyTUBHZFAKIADYFD-WFGJKAKNSA-N
XLogP0.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[bis(trideuteriomethyl)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

(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
CID 51114366
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
CID 114075012
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
CID 114075000
methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate
CID 114075171
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
butyl 2-(dimethylamino)pyridine-4-carboxylate
CID 78968867
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
CID 162911096
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate (CID 155292022) is methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate is [2H]C([2H])([2H])N(c1cc(C(=O)OC)ccn1)C([2H])([2H])[2H].
What is the InChIKey of methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate?
The InChIKey is TUBHZFAKIADYFD-WFGJKAKNSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)8-6-7(4-5-10-8)9(12)13-3/h4-6H,1-3H3/i1D3,2D3.
What are the key properties of methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate?
methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 155292022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).