N-(pyridin-2-ylmethyl)acetamide;hydrochloride

C8H11ClN2O — CID 43810526

IUPACN-(pyridin-2-ylmethyl)acetamide;hydrochloride
SMILESCC(=O)NCc1ccccn1.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-7(11)10-6-8-4-2-3-5-9-8;/h2-5H,6H2,1H3,(H,10,11);1H
InChIKeyBRECTPXCYBQPQO-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.14
Rot. Bonds2

About N-(pyridin-2-ylmethyl)acetamide;hydrochloride

N-(pyridin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 43810526) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)acetamide;hydrochloride
PubChem CID43810526
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC NameN-(pyridin-2-ylmethyl)acetamide;hydrochloride
SMILESCC(=O)NCc1ccccn1.Cl
InChIInChI=1S/C8H10N2O.ClH/c1-7(11)10-6-8-4-2-3-5-9-8;/h2-5H,6H2,1H3,(H,10,11);1H
InChIKeyBRECTPXCYBQPQO-UHFFFAOYSA-N
XLogP1.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of N-(pyridin-2-ylmethyl)acetamide;hydrochloride (CID 43810526) is N-(pyridin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for N-(pyridin-2-ylmethyl)acetamide;hydrochloride is CC(=O)NCc1ccccn1.Cl.
What is the InChIKey of N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is BRECTPXCYBQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c1-7(11)10-6-8-4-2-3-5-9-8;/h2-5H,6H2,1H3,(H,10,11);1H.
What are the key properties of N-(pyridin-2-ylmethyl)acetamide;hydrochloride?
N-(pyridin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 43810526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).