N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide

C17H16N4O — CID 53159084

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O/c22-17(10-15-2-1-7-18-11-15)20-12-14-3-5-16(6-4-14)21-9-8-19-13-21/h1-9,11,13H,10,12H2,(H,20,22)
InChIKeyOCBLJYQXNKDLDF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.13
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide (PubChem CID 53159084) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
PubChem CID53159084
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O/c22-17(10-15-2-1-7-18-11-15)20-12-14-3-5-16(6-4-14)21-9-8-19-13-21/h1-9,11,13H,10,12H2,(H,20,22)
InChIKeyOCBLJYQXNKDLDF-UHFFFAOYSA-N
XLogP2.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 166218360
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 92672064
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide (CID 53159084) is N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide?
The InChIKey is OCBLJYQXNKDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(10-15-2-1-7-18-11-15)20-12-14-3-5-16(6-4-14)21-9-8-19-13-21/h1-9,11,13H,10,12H2,(H,20,22).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 53159084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).