3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide

C32H26N4O2 — CID 164611569

IUPAC3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNC(=O)c2cccc(-c3cccnc3)c2)cc1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C32H26N4O2/c37-31(27-7-1-5-25(17-27)29-9-3-15-33-21-29)35-19-23-11-13-24(14-12-23)20-36-32(38)28-8-2-6-26(18-28)30-10-4-16-34-22-30/h1-18,21-22H,19-20H2,(H,35,37)(H,36,38)
InChIKeyKWFALKGCQVOBSK-UHFFFAOYSA-N
MW498.59 g/mol
LogP5.67
Rot. Bonds8

About 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide

3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 164611569) has the molecular formula C32H26N4O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide
PubChem CID164611569
Molecular FormulaC32H26N4O2
Molecular Weight498.59 g/mol
Exact Mass498.21
IUPAC Name3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNC(=O)c2cccc(-c3cccnc3)c2)cc1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C32H26N4O2/c37-31(27-7-1-5-25(17-27)29-9-3-15-33-21-29)35-19-23-11-13-24(14-12-23)20-36-32(38)28-8-2-6-26(18-28)30-10-4-16-34-22-30/h1-18,21-22H,19-20H2,(H,35,37)(H,36,38)
InChIKeyKWFALKGCQVOBSK-UHFFFAOYSA-N
XLogP5.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide (CID 164611569) is 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CNC(=O)c2cccc(-c3cccnc3)c2)cc1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is KWFALKGCQVOBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2/c37-31(27-7-1-5-25(17-27)29-9-3-15-33-21-29)35-19-23-11-13-24(14-12-23)20-36-32(38)28-8-2-6-26(18-28)30-10-4-16-34-22-30/h1-18,21-22H,19-20H2,(H,35,37)(H,36,38).
What are the key properties of 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide?
3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 498.59 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[[4-[[(3-pyridin-3-ylbenzoyl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 164611569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).