N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide

C30H38N2O — CID 90421461

IUPACN-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c(C)c1
InChIInChI=1S/C30H38N2O/c1-17(2)23-15-24(18(3)4)28(25(16-23)19(5)6)26-11-10-12-27(31-26)30(33)32-29-21(8)13-20(7)14-22(29)9/h10-19H,1-9H3,(H,32,33)
InChIKeyLOVQMRMHNKGAJC-UHFFFAOYSA-N
MW442.65 g/mol
LogP8.30
Rot. Bonds6

About N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide

N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 90421461) has the molecular formula C30H38N2O and a molecular weight of 442.65 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID90421461
Molecular FormulaC30H38N2O
Molecular Weight442.65 g/mol
Exact Mass442.30
IUPAC NameN-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c(C)c1
InChIInChI=1S/C30H38N2O/c1-17(2)23-15-24(18(3)4)28(25(16-23)19(5)6)26-11-10-12-27(31-26)30(33)32-29-21(8)13-20(7)14-22(29)9/h10-19H,1-9H3,(H,32,33)
InChIKeyLOVQMRMHNKGAJC-UHFFFAOYSA-N
XLogP8.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)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-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide (CID 90421461) is N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is LOVQMRMHNKGAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O/c1-17(2)23-15-24(18(3)4)28(25(16-23)19(5)6)26-11-10-12-27(31-26)30(33)32-29-21(8)13-20(7)14-22(29)9/h10-19H,1-9H3,(H,32,33).
What are the key properties of N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide?
N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 442.65 g/mol, XLogP of 8.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90421461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).