(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride

C16H17ClN2O5 — CID 154774391

IUPAC(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride
SMILESCOc1cccc(OC(=O)OCCNC(=O)c2cccnc2)c1.Cl
InChIInChI=1S/C16H16N2O5.ClH/c1-21-13-5-2-6-14(10-13)23-16(20)22-9-8-18-15(19)12-4-3-7-17-11-12;/h2-7,10-11H,8-9H2,1H3,(H,18,19);1H
InChIKeyFBTXKBJRNOYQQY-UHFFFAOYSA-N
MW352.77 g/mol
LogP2.46
Rot. Bonds6

About (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride

(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride (PubChem CID 154774391) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride
PubChem CID154774391
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride
SMILESCOc1cccc(OC(=O)OCCNC(=O)c2cccnc2)c1.Cl
InChIInChI=1S/C16H16N2O5.ClH/c1-21-13-5-2-6-14(10-13)23-16(20)22-9-8-18-15(19)12-4-3-7-17-11-12;/h2-7,10-11H,8-9H2,1H3,(H,18,19);1H
InChIKeyFBTXKBJRNOYQQY-UHFFFAOYSA-N
XLogP2.46
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
2-(pyridine-3-carbonylamino)ethyl nitrate;hydrochloride
CID 3017561
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
ethane;methoxy-oxo-[2-(pyridine-3-carbonylamino)ethoxy]azanium
CID 155697782
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
CID 69106862

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride?
The IUPAC name of (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride (CID 154774391) is (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride.
What is the SMILES notation for (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride?
The canonical SMILES for (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride is COc1cccc(OC(=O)OCCNC(=O)c2cccnc2)c1.Cl.
What is the InChIKey of (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride?
The InChIKey is FBTXKBJRNOYQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5.ClH/c1-21-13-5-2-6-14(10-13)23-16(20)22-9-8-18-15(19)12-4-3-7-17-11-12;/h2-7,10-11H,8-9H2,1H3,(H,18,19);1H.
What are the key properties of (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride?
(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride has a molecular weight of 352.77 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride is sourced from PubChem (CID 154774391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).