3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C15H16FN3O — CID 62662132

IUPAC3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1cccc(C)n1
InChIInChI=1S/C15H16FN3O/c1-10-5-3-6-11(19-10)9-18-15(20)12-7-4-8-13(16)14(12)17-2/h3-8,17H,9H2,1-2H3,(H,18,20)
InChIKeyOEKBRNIDSLNMKK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.50
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 62662132) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID62662132
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1cccc(C)n1
InChIInChI=1S/C15H16FN3O/c1-10-5-3-6-11(19-10)9-18-15(20)12-7-4-8-13(16)14(12)17-2/h3-8,17H,9H2,1-2H3,(H,18,20)
InChIKeyOEKBRNIDSLNMKK-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
6-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 62308602

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 62662132) is 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is CNc1c(F)cccc1C(=O)NCc1cccc(C)n1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is OEKBRNIDSLNMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-5-3-6-11(19-10)9-18-15(20)12-7-4-8-13(16)14(12)17-2/h3-8,17H,9H2,1-2H3,(H,18,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 62662132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).