2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

C16H20ClN3O3 — CID 2974920

IUPAC2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2ccccn2)ccc1OCC(N)=O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-15-8-12(5-6-14(15)22-11-16(17)20)9-18-10-13-4-2-3-7-19-13;/h2-8,18H,9-11H2,1H3,(H2,17,20);1H
InChIKeyVVDQYBMQVZYDCY-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.67
Rot. Bonds8

About 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2974920) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2974920
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2ccccn2)ccc1OCC(N)=O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-15-8-12(5-6-14(15)22-11-16(17)20)9-18-10-13-4-2-3-7-19-13;/h2-8,18H,9-11H2,1H3,(H2,17,20);1H
InChIKeyVVDQYBMQVZYDCY-UHFFFAOYSA-N
XLogP1.67
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2974920) is 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is COc1cc(CNCc2ccccn2)ccc1OCC(N)=O.Cl.
What is the InChIKey of 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is VVDQYBMQVZYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-21-15-8-12(5-6-14(15)22-11-16(17)20)9-18-10-13-4-2-3-7-19-13;/h2-8,18H,9-11H2,1H3,(H2,17,20);1H.
What are the key properties of 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2974920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).