5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide

C25H24N6O3 — CID 144983734

IUPAC5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide
SMILESCN1C=CC(NC(=O)c2cc(C(=O)NC3=CCNC=C3)cc(C(=O)Nc3ccncc3)c2)=CC1
InChIInChI=1S/C25H24N6O3/c1-31-12-6-22(7-13-31)30-25(34)19-15-17(23(32)28-20-2-8-26-9-3-20)14-18(16-19)24(33)29-21-4-10-27-11-5-21/h2-10,12,14-16,27H,11,13H2,1H3,(H,29,33)(H,30,34)(H,26,28,32)
InChIKeyOOXXUBKONRNKQE-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.14
Rot. Bonds6

About 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide

5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide (PubChem CID 144983734) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide
PubChem CID144983734
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide
SMILESCN1C=CC(NC(=O)c2cc(C(=O)NC3=CCNC=C3)cc(C(=O)Nc3ccncc3)c2)=CC1
InChIInChI=1S/C25H24N6O3/c1-31-12-6-22(7-13-31)30-25(34)19-15-17(23(32)28-20-2-8-26-9-3-20)14-18(16-19)24(33)29-21-4-10-27-11-5-21/h2-10,12,14-16,27H,11,13H2,1H3,(H,29,33)(H,30,34)(H,26,28,32)
InChIKeyOOXXUBKONRNKQE-UHFFFAOYSA-N
XLogP2.14
TPSA115.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide 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 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide (CID 144983734) is 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide is CN1C=CC(NC(=O)c2cc(C(=O)NC3=CCNC=C3)cc(C(=O)Nc3ccncc3)c2)=CC1.
What is the InChIKey of 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide?
The InChIKey is OOXXUBKONRNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-31-12-6-22(7-13-31)30-25(34)19-15-17(23(32)28-20-2-8-26-9-3-20)14-18(16-19)24(33)29-21-4-10-27-11-5-21/h2-10,12,14-16,27H,11,13H2,1H3,(H,29,33)(H,30,34)(H,26,28,32).
What are the key properties of 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide?
5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide has a molecular weight of 456.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,2-dihydropyridin-4-yl)-1-N-(1-methyl-2H-pyridin-4-yl)-3-N-pyridin-4-ylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 144983734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).