N-[(4-methoxy-2-pyridinyl)methyl]acetamide

C9H12N2O2 — CID 121378949

IUPACN-[(4-methoxy-2-pyridinyl)methyl]acetamide
SMILESCOc1ccnc(CNC(C)=O)c1
InChIInChI=1S/C9H12N2O2/c1-7(12)11-6-8-5-9(13-2)3-4-10-8/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyRSUPFUXGWNRRGG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.73
Rot. Bonds3

About N-[(4-methoxy-2-pyridinyl)methyl]acetamide

N-[(4-methoxy-2-pyridinyl)methyl]acetamide (PubChem CID 121378949) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methyl]acetamide
PubChem CID121378949
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(4-methoxy-2-pyridinyl)methyl]acetamide
SMILESCOc1ccnc(CNC(C)=O)c1
InChIInChI=1S/C9H12N2O2/c1-7(12)11-6-8-5-9(13-2)3-4-10-8/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyRSUPFUXGWNRRGG-UHFFFAOYSA-N
XLogP0.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[3-[(1R)-1-[(4-methoxy-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 99854055
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154780957
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
4-methoxy-2-propylpyridine
CID 11084054
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
4-methoxy-2-(methylsulfonylmethyl)pyridine
CID 130621299

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]acetamide (CID 121378949) is N-[(4-methoxy-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methyl]acetamide is COc1ccnc(CNC(C)=O)c1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methyl]acetamide?
The InChIKey is RSUPFUXGWNRRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)11-6-8-5-9(13-2)3-4-10-8/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of N-[(4-methoxy-2-pyridinyl)methyl]acetamide?
N-[(4-methoxy-2-pyridinyl)methyl]acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 121378949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).