1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide

C30H24N6O2 — CID 156597871

IUPAC1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1
InChIInChI=1S/C30H24N6O2/c37-29(35-25-9-5-23(6-10-25)33-27-13-17-31-18-14-27)21-1-2-22(4-3-21)30(38)36-26-11-7-24(8-12-26)34-28-15-19-32-20-16-28/h1-20H,(H,31,33)(H,32,34)(H,35,37)(H,36,38)
InChIKeyNXISOMJXGNEHPB-UHFFFAOYSA-N
MW500.56 g/mol
LogP6.47
Rot. Bonds8

About 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide (PubChem CID 156597871) has the molecular formula C30H24N6O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide
PubChem CID156597871
Molecular FormulaC30H24N6O2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC Name1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1
InChIInChI=1S/C30H24N6O2/c37-29(35-25-9-5-23(6-10-25)33-27-13-17-31-18-14-27)21-1-2-22(4-3-21)30(38)36-26-11-7-24(8-12-26)34-28-15-19-32-20-16-28/h1-20H,(H,31,33)(H,32,34)(H,35,37)(H,36,38)
InChIKeyNXISOMJXGNEHPB-UHFFFAOYSA-N
XLogP6.47
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide 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 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide (CID 156597871) is 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide is O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is NXISOMJXGNEHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2/c37-29(35-25-9-5-23(6-10-25)33-27-13-17-31-18-14-27)21-1-2-22(4-3-21)30(38)36-26-11-7-24(8-12-26)34-28-15-19-32-20-16-28/h1-20H,(H,31,33)(H,32,34)(H,35,37)(H,36,38).
What are the key properties of 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 500.56 g/mol, XLogP of 6.47, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(pyridin-4-ylamino)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 156597871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).