5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109243191

IUPAC5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-15(2)28-21-10-8-19(9-11-21)26-23(27)18-12-20(14-24-13-18)25-22-16(3)6-5-7-17(22)4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyUDSOXOJPLZMTIC-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.48
Rot. Bonds6

About 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109243191) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109243191
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-15(2)28-21-10-8-19(9-11-21)26-23(27)18-12-20(14-24-13-18)25-22-16(3)6-5-7-17(22)4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyUDSOXOJPLZMTIC-UHFFFAOYSA-N
XLogP5.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
5-(2,6-diethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243967
3-N-(2-methoxyethyl)-5-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109103509
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109243191) is 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1cccc(C)c1Nc1cncc(C(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is UDSOXOJPLZMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)28-21-10-8-19(9-11-21)26-23(27)18-12-20(14-24-13-18)25-22-16(3)6-5-7-17(22)4/h5-15,25H,1-4H3,(H,26,27).
What are the key properties of 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).