3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide

C17H16N4O2 — CID 90564970

IUPAC3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1
InChIInChI=1S/C17H16N4O2/c1-12-18-8-9-21(12)16-7-6-14(11-19-16)20-17(22)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,20,22)
InChIKeyVXUIJPCGRVCRBL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.84
Rot. Bonds4

About 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide

3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 90564970) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
PubChem CID90564970
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1
InChIInChI=1S/C17H16N4O2/c1-12-18-8-9-21(12)16-7-6-14(11-19-16)20-17(22)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,20,22)
InChIKeyVXUIJPCGRVCRBL-UHFFFAOYSA-N
XLogP2.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564983
3-methoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187472
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-naphthalen-2-yloxyacetamide
CID 90565021

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (CID 90564970) is 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1.
What is the InChIKey of 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is VXUIJPCGRVCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-18-8-9-21(12)16-7-6-14(11-19-16)20-17(22)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 90564970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).