3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide

C18H15FN4O — CID 113012780

IUPAC3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)nc1)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O/c19-15-5-1-4-14(9-15)18(24)23-16-6-7-17(22-12-16)21-11-13-3-2-8-20-10-13/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyBBAIOMUNIFKZCI-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide

3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide (PubChem CID 113012780) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
PubChem CID113012780
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)nc1)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O/c19-15-5-1-4-14(9-15)18(24)23-16-6-7-17(22-12-16)21-11-13-3-2-8-20-10-13/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyBBAIOMUNIFKZCI-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
N-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide (CID 113012780) is 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(NCc2cccnc2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide?
The InChIKey is BBAIOMUNIFKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-5-1-4-14(9-15)18(24)23-16-6-7-17(22-12-16)21-11-13-3-2-8-20-10-13/h1-10,12H,11H2,(H,21,22)(H,23,24).
What are the key properties of 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide?
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide has a molecular weight of 322.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113012780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).