N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide

C25H20N4O2 — CID 53326928

IUPACN-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccn3)cc2)cc1)c1ccccn1
InChIInChI=1S/C25H20N4O2/c30-24(22-5-1-3-15-26-22)28-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)29-25(31)23-6-2-4-16-27-23/h1-16H,17H2,(H,28,30)(H,29,31)
InChIKeyYVFXANNUIMBPCO-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.57
Rot. Bonds6

About N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide

N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 53326928) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide
PubChem CID53326928
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccn3)cc2)cc1)c1ccccn1
InChIInChI=1S/C25H20N4O2/c30-24(22-5-1-3-15-26-22)28-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)29-25(31)23-6-2-4-16-27-23/h1-16H,17H2,(H,28,30)(H,29,31)
InChIKeyYVFXANNUIMBPCO-UHFFFAOYSA-N
XLogP4.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide 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-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide (CID 53326928) is N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccn3)cc2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is YVFXANNUIMBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24(22-5-1-3-15-26-22)28-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)29-25(31)23-6-2-4-16-27-23/h1-16H,17H2,(H,28,30)(H,29,31).
What are the key properties of N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide?
N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(pyridine-2-carbonylamino)phenyl]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 53326928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).