N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide

C20H18FN3O — CID 139540241

IUPACN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide
SMILESCc1cccnc1CN(C=O)Cc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C20H18FN3O/c1-15-4-2-9-23-20(15)13-24(14-25)12-18-7-6-16(10-19(18)21)17-5-3-8-22-11-17/h2-11,14H,12-13H2,1H3
InChIKeyYLZGWMZEGQPAFX-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.75
Rot. Bonds6

About N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide

N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide (PubChem CID 139540241) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide
PubChem CID139540241
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide
SMILESCc1cccnc1CN(C=O)Cc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C20H18FN3O/c1-15-4-2-9-23-20(15)13-24(14-25)12-18-7-6-16(10-19(18)21)17-5-3-8-22-11-17/h2-11,14H,12-13H2,1H3
InChIKeyYLZGWMZEGQPAFX-UHFFFAOYSA-N
XLogP3.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide?
The IUPAC name of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide (CID 139540241) is N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide is Cc1cccnc1CN(C=O)Cc1ccc(-c2cccnc2)cc1F.
What is the InChIKey of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide?
The InChIKey is YLZGWMZEGQPAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-15-4-2-9-23-20(15)13-24(14-25)12-18-7-6-16(10-19(18)21)17-5-3-8-22-11-17/h2-11,14H,12-13H2,1H3.
What are the key properties of N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide?
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide has a molecular weight of 335.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[(3-methyl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 139540241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).