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

C19H20N4O2 — CID 87023050

IUPACN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2ccc(-n3ccnc3C)nc2)c1
InChIInChI=1S/C19H20N4O2/c1-14-4-3-5-17(10-14)25-13-19(24)22-12-16-6-7-18(21-11-16)23-9-8-20-15(23)2/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyBNNDODKONCRHPX-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds6

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

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide (PubChem CID 87023050) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
PubChem CID87023050
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCc2ccc(-n3ccnc3C)nc2)c1
InChIInChI=1S/C19H20N4O2/c1-14-4-3-5-17(10-14)25-13-19(24)22-12-16-6-7-18(21-11-16)23-9-8-20-15(23)2/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyBNNDODKONCRHPX-UHFFFAOYSA-N
XLogP2.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide (CID 87023050) is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCc2ccc(-n3ccnc3C)nc2)c1.
What is the InChIKey of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is BNNDODKONCRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-4-3-5-17(10-14)25-13-19(24)22-12-16-6-7-18(21-11-16)23-9-8-20-15(23)2/h3-11H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide?
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 87023050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).