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

C17H15FN4O2 — CID 75434860

IUPAC2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1F
InChIInChI=1S/C17H15FN4O2/c1-11-19-8-9-22(11)15-7-6-12(10-20-15)21-17(23)13-4-3-5-14(24-2)16(13)18/h3-10H,1-2H3,(H,21,23)
InChIKeyCYMKDVRXEGCDPP-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.98
Rot. Bonds4

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

2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 75434860) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
PubChem CID75434860
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1F
InChIInChI=1S/C17H15FN4O2/c1-11-19-8-9-22(11)15-7-6-12(10-20-15)21-17(23)13-4-3-5-14(24-2)16(13)18/h3-10H,1-2H3,(H,21,23)
InChIKeyCYMKDVRXEGCDPP-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.98
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
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
7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
CID 155963022
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
2-methoxy-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 141110853
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564983
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 143263580
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
CID 87018905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (CID 75434860) is 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is CYMKDVRXEGCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-19-8-9-22(11)15-7-6-12(10-20-15)21-17(23)13-4-3-5-14(24-2)16(13)18/h3-10H,1-2H3,(H,21,23).
What are the key properties of 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 326.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 75434860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).