methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate

C14H22N2O3 — CID 106905254

IUPACmethyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(CCCO)C(C)C)n1
InChIInChI=1S/C14H22N2O3/c1-11(2)16(8-5-9-17)10-12-6-4-7-13(15-12)14(18)19-3/h4,6-7,11,17H,5,8-10H2,1-3H3
InChIKeyVCTLYGBUITUDQU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.46
Rot. Bonds7

About methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate

methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate (PubChem CID 106905254) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate
PubChem CID106905254
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(CCCO)C(C)C)n1
InChIInChI=1S/C14H22N2O3/c1-11(2)16(8-5-9-17)10-12-6-4-7-13(15-12)14(18)19-3/h4,6-7,11,17H,5,8-10H2,1-3H3
InChIKeyVCTLYGBUITUDQU-UHFFFAOYSA-N
XLogP1.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-[[methyl-[3-(methylamino)propyl]amino]methyl]pyridine-2-carboxylate
CID 106905121
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
methyl 6-[[2-(3-methoxypropoxy)ethyl-(2-propoxyethyl)amino]methyl]pyridine-2-carboxylate
CID 155721260
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
methyl 6-[[2-[2-[2-[2-cyclopentyloxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl-(2-hydroxyethyl)amino]methyl]pyridine-2-carboxylate
CID 155283734
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate (CID 106905254) is methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN(CCCO)C(C)C)n1.
What is the InChIKey of methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is VCTLYGBUITUDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)16(8-5-9-17)10-12-6-4-7-13(15-12)14(18)19-3/h4,6-7,11,17H,5,8-10H2,1-3H3.
What are the key properties of methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate?
methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).