4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

C21H21N3O — CID 109218850

IUPAC4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(Nc3ccccc3)ccn2)c(C)c1
InChIInChI=1S/C21H21N3O/c1-14-11-15(2)20(16(3)12-14)24-21(25)19-13-18(9-10-22-19)23-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeySSJOVVFIWFBZHD-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 109218850) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
PubChem CID109218850
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(Nc3ccccc3)ccn2)c(C)c1
InChIInChI=1S/C21H21N3O/c1-14-11-15(2)20(16(3)12-14)24-21(25)19-13-18(9-10-22-19)23-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeySSJOVVFIWFBZHD-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
4-[4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220014
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858
4-N-(2-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109090998
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220006
methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220533
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (CID 109218850) is 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc(Nc3ccccc3)ccn2)c(C)c1.
What is the InChIKey of 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The InChIKey is SSJOVVFIWFBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-11-15(2)20(16(3)12-14)24-21(25)19-13-18(9-10-22-19)23-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).