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

C17H17ClN4O2 — CID 71691689

IUPAC2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
SMILESCOc1ccccc1C(=O)Nc1ccc(-n2ccnc2C)nc1.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-12-18-9-10-21(12)16-8-7-13(11-19-16)20-17(22)14-5-3-4-6-15(14)23-2;/h3-11H,1-2H3,(H,20,22);1H
InChIKeyIJWMRPOTUKPVMH-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.26
Rot. Bonds4

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

2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride (PubChem CID 71691689) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
PubChem CID71691689
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
SMILESCOc1ccccc1C(=O)Nc1ccc(-n2ccnc2C)nc1.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-12-18-9-10-21(12)16-8-7-13(11-19-16)20-17(22)14-5-3-4-6-15(14)23-2;/h3-11H,1-2H3,(H,20,22);1H
InChIKeyIJWMRPOTUKPVMH-UHFFFAOYSA-N
XLogP3.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
2-methoxy-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 141110853
3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564970
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564983
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 78902311
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride (CID 71691689) is 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride is COc1ccccc1C(=O)Nc1ccc(-n2ccnc2C)nc1.Cl.
What is the InChIKey of 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride?
The InChIKey is IJWMRPOTUKPVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.ClH/c1-12-18-9-10-21(12)16-8-7-13(11-19-16)20-17(22)14-5-3-4-6-15(14)23-2;/h3-11H,1-2H3,(H,20,22);1H.
What are the key properties of 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride?
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride is sourced from PubChem (CID 71691689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).