4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide

C30H28F3N7O2 — CID 119098948

IUPAC4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4ccc(C(N)=O)cc4)CC3)nc2)c1
InChIInChI=1S/C30H28F3N7O2/c1-18-14-24(38-27(15-18)39-26-16-22(8-11-35-26)30(31,32)33)21-6-7-25(36-17-21)37-23-9-12-40(13-10-23)29(42)20-4-2-19(3-5-20)28(34)41/h2-8,11,14-17,23H,9-10,12-13H2,1H3,(H2,34,41)(H,36,37)(H,35,38,39)
InChIKeyLHEYMTZGQVIYJG-UHFFFAOYSA-N
MW575.60 g/mol
LogP5.43
Rot. Bonds7

About 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide

4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide (PubChem CID 119098948) has the molecular formula C30H28F3N7O2 and a molecular weight of 575.60 g/mol. Its IUPAC name is 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
PubChem CID119098948
Molecular FormulaC30H28F3N7O2
Molecular Weight575.60 g/mol
Exact Mass575.23
IUPAC Name4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4ccc(C(N)=O)cc4)CC3)nc2)c1
InChIInChI=1S/C30H28F3N7O2/c1-18-14-24(38-27(15-18)39-26-16-22(8-11-35-26)30(31,32)33)21-6-7-25(36-17-21)37-23-9-12-40(13-10-23)29(42)20-4-2-19(3-5-20)28(34)41/h2-8,11,14-17,23H,9-10,12-13H2,1H3,(H2,34,41)(H,36,37)(H,35,38,39)
InChIKeyLHEYMTZGQVIYJG-UHFFFAOYSA-N
XLogP5.43
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.60
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide 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 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide (CID 119098948) is 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4ccc(C(N)=O)cc4)CC3)nc2)c1.
What is the InChIKey of 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide?
The InChIKey is LHEYMTZGQVIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O2/c1-18-14-24(38-27(15-18)39-26-16-22(8-11-35-26)30(31,32)33)21-6-7-25(36-17-21)37-23-9-12-40(13-10-23)29(42)20-4-2-19(3-5-20)28(34)41/h2-8,11,14-17,23H,9-10,12-13H2,1H3,(H2,34,41)(H,36,37)(H,35,38,39).
What are the key properties of 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide?
4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide has a molecular weight of 575.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 119098948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).