5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide

C22H23N3O — CID 109241555

IUPAC5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)20-11-7-8-16(3)21(20)25-22(26)17-12-19(14-23-13-17)24-18-9-5-4-6-10-18/h4-15,24H,1-3H3,(H,25,26)
InChIKeyYDQWXFUXIHSGAE-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.51
Rot. Bonds5

About 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide

5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109241555) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109241555
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-15(2)20-11-7-8-16(3)21(20)25-22(26)17-12-19(14-23-13-17)24-18-9-5-4-6-10-18/h4-15,24H,1-3H3,(H,25,26)
InChIKeyYDQWXFUXIHSGAE-UHFFFAOYSA-N
XLogP5.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225028
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222930

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109241555) is 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cncc(Nc2ccccc2)c1.
What is the InChIKey of 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is YDQWXFUXIHSGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15(2)20-11-7-8-16(3)21(20)25-22(26)17-12-19(14-23-13-17)24-18-9-5-4-6-10-18/h4-15,24H,1-3H3,(H,25,26).
What are the key properties of 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?
5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).