2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride

C17H22ClN3O4 — CID 120618498

IUPAC2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(CNC(=O)Cc2ccc(N)cn2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-22-14-6-11(7-15(23-2)17(14)24-3)9-20-16(21)8-13-5-4-12(18)10-19-13;/h4-7,10H,8-9,18H2,1-3H3,(H,20,21);1H
InChIKeyMRLQFBQPGIXDIN-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.97
Rot. Bonds7

About 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 120618498) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID120618498
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(CNC(=O)Cc2ccc(N)cn2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-22-14-6-11(7-15(23-2)17(14)24-3)9-20-16(21)8-13-5-4-12(18)10-19-13;/h4-7,10H,8-9,18H2,1-3H3,(H,20,21);1H
InChIKeyMRLQFBQPGIXDIN-UHFFFAOYSA-N
XLogP1.97
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 107337362
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(5-amino-2-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 107337886
2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-(5-amino-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide;hydrochloride
CID 120622901
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride (CID 120618498) is 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride is COc1cc(CNC(=O)Cc2ccc(N)cn2)cc(OC)c1OC.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is MRLQFBQPGIXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c1-22-14-6-11(7-15(23-2)17(14)24-3)9-20-16(21)8-13-5-4-12(18)10-19-13;/h4-7,10H,8-9,18H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120618498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).