methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate

C11H16N2O3 — CID 60722314

IUPACmethyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
SMILESCOCC(C)Nc1ncccc1C(=O)OC
InChIInChI=1S/C11H16N2O3/c1-8(7-15-2)13-10-9(11(14)16-3)5-4-6-12-10/h4-6,8H,7H2,1-3H3,(H,12,13)
InChIKeySKVDSKTUMLYHOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.32
Rot. Bonds5

About methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate

methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate (PubChem CID 60722314) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
PubChem CID60722314
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
SMILESCOCC(C)Nc1ncccc1C(=O)OC
InChIInChI=1S/C11H16N2O3/c1-8(7-15-2)13-10-9(11(14)16-3)5-4-6-12-10/h4-6,8H,7H2,1-3H3,(H,12,13)
InChIKeySKVDSKTUMLYHOF-UHFFFAOYSA-N
XLogP1.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125
methyl 2-[[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-methylamino]benzoate
CID 19154066

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate (CID 60722314) is methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate is COCC(C)Nc1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate?
The InChIKey is SKVDSKTUMLYHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(7-15-2)13-10-9(11(14)16-3)5-4-6-12-10/h4-6,8H,7H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate?
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 60722314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).