3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide

C19H19FN4O2 — CID 170511574

IUPAC3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
SMILESCCC(NC(=O)c1cc(F)cc(-c2cccc(=O)[nH]2)c1)c1ncc(C)[nH]1
InChIInChI=1S/C19H19FN4O2/c1-3-15(18-21-10-11(2)22-18)24-19(26)13-7-12(8-14(20)9-13)16-5-4-6-17(25)23-16/h4-10,15H,3H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyWYMFXZATGHSKDM-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.09
Rot. Bonds5

About 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide

3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide (PubChem CID 170511574) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
PubChem CID170511574
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
SMILESCCC(NC(=O)c1cc(F)cc(-c2cccc(=O)[nH]2)c1)c1ncc(C)[nH]1
InChIInChI=1S/C19H19FN4O2/c1-3-15(18-21-10-11(2)22-18)24-19(26)13-7-12(8-14(20)9-13)16-5-4-6-17(25)23-16/h4-10,15H,3H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyWYMFXZATGHSKDM-UHFFFAOYSA-N
XLogP3.09
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
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N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide (CID 170511574) is 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide is CCC(NC(=O)c1cc(F)cc(-c2cccc(=O)[nH]2)c1)c1ncc(C)[nH]1.
What is the InChIKey of 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide?
The InChIKey is WYMFXZATGHSKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-3-15(18-21-10-11(2)22-18)24-19(26)13-7-12(8-14(20)9-13)16-5-4-6-17(25)23-16/h4-10,15H,3H2,1-2H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide?
3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide has a molecular weight of 354.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide is sourced from PubChem (CID 170511574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).