N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide

C12H14N4O — CID 47353927

IUPACN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C12H14N4O/c1-9-13-5-6-16(9)12-4-3-11(8-15-12)7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyBAOOQTRGZFOEOF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.21
Rot. Bonds3

About N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 47353927) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID47353927
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C12H14N4O/c1-9-13-5-6-16(9)12-4-3-11(8-15-12)7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyBAOOQTRGZFOEOF-UHFFFAOYSA-N
XLogP1.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
N',3,3-trimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111738840
1-tert-butyl-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110964469
3-acetamido-3-(4-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 78904885
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (CID 47353927) is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(-n2ccnc2C)nc1.
What is the InChIKey of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is BAOOQTRGZFOEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-13-5-6-16(9)12-4-3-11(8-15-12)7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17).
What are the key properties of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 47353927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).