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

C12H18N2O3 — CID 104695550

IUPACmethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC(C)(C)OC
InChIInChI=1S/C12H18N2O3/c1-12(2,17-4)8-14-10-9(11(15)16-3)6-5-7-13-10/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyQFVZGPNVJIVQFX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.71
Rot. Bonds5

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

methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate (PubChem CID 104695550) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
PubChem CID104695550
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC(C)(C)OC
InChIInChI=1S/C12H18N2O3/c1-12(2,17-4)8-14-10-9(11(15)16-3)6-5-7-13-10/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyQFVZGPNVJIVQFX-UHFFFAOYSA-N
XLogP1.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79107091
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate (CID 104695550) is methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC(C)(C)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The InChIKey is QFVZGPNVJIVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,17-4)8-14-10-9(11(15)16-3)6-5-7-13-10/h5-7H,8H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 104695550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).