2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

C20H18FN3O — CID 56789485

IUPAC2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1
InChIInChI=1S/C20H18FN3O/c1-15-4-5-19(21)18(11-15)20(25)24(13-16-6-9-22-10-7-16)14-17-3-2-8-23-12-17/h2-12H,13-14H2,1H3
InChIKeyFBISGMMLYIUEPU-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.77
Rot. Bonds5

About 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 56789485) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID56789485
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1
InChIInChI=1S/C20H18FN3O/c1-15-4-5-19(21)18(11-15)20(25)24(13-16-6-9-22-10-7-16)14-17-3-2-8-23-12-17/h2-12H,13-14H2,1H3
InChIKeyFBISGMMLYIUEPU-UHFFFAOYSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281
2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78811624
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56789486
N-benzyl-2-methyl-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 171678671
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
CID 78803544

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 56789485) is 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(F)c(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is FBISGMMLYIUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-15-4-5-19(21)18(11-15)20(25)24(13-16-6-9-22-10-7-16)14-17-3-2-8-23-12-17/h2-12H,13-14H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 335.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 56789485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).