[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride

C19H23ClN2O5 — CID 122714602

IUPAC[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride
SMILESCOc1ccc(OCC(=O)OCC(C)(C)NC(=O)c2ccncc2)cc1.Cl
InChIInChI=1S/C19H22N2O5.ClH/c1-19(2,21-18(23)14-8-10-20-11-9-14)13-26-17(22)12-25-16-6-4-15(24-3)5-7-16;/h4-11H,12-13H2,1-3H3,(H,21,23);1H
InChIKeyVBESTXHWOVRSRR-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.64
Rot. Bonds8

About [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride

[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride (PubChem CID 122714602) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride
PubChem CID122714602
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Name[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride
SMILESCOc1ccc(OCC(=O)OCC(C)(C)NC(=O)c2ccncc2)cc1.Cl
InChIInChI=1S/C19H22N2O5.ClH/c1-19(2,21-18(23)14-8-10-20-11-9-14)13-26-17(22)12-25-16-6-4-15(24-3)5-7-16;/h4-11H,12-13H2,1-3H3,(H,21,23);1H
InChIKeyVBESTXHWOVRSRR-UHFFFAOYSA-N
XLogP2.64
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-bromophenoxy)acetate
CID 122714595
[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(2,4,6-trimethylphenoxy)acetate;hydrochloride
CID 122714596
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
methyl 2-pyridin-4-yloxyacetate
CID 90026078
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 37133440
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
4-(2-amino-2-oxoethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115869881
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride?
The IUPAC name of [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride (CID 122714602) is [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride.
What is the SMILES notation for [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride?
The canonical SMILES for [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride is COc1ccc(OCC(=O)OCC(C)(C)NC(=O)c2ccncc2)cc1.Cl.
What is the InChIKey of [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride?
The InChIKey is VBESTXHWOVRSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5.ClH/c1-19(2,21-18(23)14-8-10-20-11-9-14)13-26-17(22)12-25-16-6-4-15(24-3)5-7-16;/h4-11H,12-13H2,1-3H3,(H,21,23);1H.
What are the key properties of [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride?
[2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride has a molecular weight of 394.86 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(pyridine-4-carbonylamino)propyl] 2-(4-methoxyphenoxy)acetate;hydrochloride is sourced from PubChem (CID 122714602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).