N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide

C28H26FN3O — CID 143029172

IUPACN-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1ccc(F)cc1)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C28H26FN3O/c29-25-14-11-24(12-15-25)21-32(28(33)16-13-22-7-3-1-4-8-22)26-17-18-30-27(19-26)31-20-23-9-5-2-6-10-23/h1-12,14-15,17-19H,13,16,20-21H2,(H,30,31)
InChIKeyJHJJOBDFUIKIIQ-UHFFFAOYSA-N
MW439.53 g/mol
LogP6.00
Rot. Bonds9

About N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide

N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide (PubChem CID 143029172) has the molecular formula C28H26FN3O and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
PubChem CID143029172
Molecular FormulaC28H26FN3O
Molecular Weight439.53 g/mol
Exact Mass439.21
IUPAC NameN-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1ccc(F)cc1)c1ccnc(NCc2ccccc2)c1
InChIInChI=1S/C28H26FN3O/c29-25-14-11-24(12-15-25)21-32(28(33)16-13-22-7-3-1-4-8-22)26-17-18-30-27(19-26)31-20-23-9-5-2-6-10-23/h1-12,14-15,17-19H,13,16,20-21H2,(H,30,31)
InChIKeyJHJJOBDFUIKIIQ-UHFFFAOYSA-N
XLogP6.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide 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-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide (CID 143029172) is N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)c1ccnc(NCc2ccccc2)c1.
What is the InChIKey of N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is JHJJOBDFUIKIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O/c29-25-14-11-24(12-15-25)21-32(28(33)16-13-22-7-3-1-4-8-22)26-17-18-30-27(19-26)31-20-23-9-5-2-6-10-23/h1-12,14-15,17-19H,13,16,20-21H2,(H,30,31).
What are the key properties of N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 439.53 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-4-pyridinyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 143029172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).