5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C24H27N3O2 — CID 109243870

IUPAC5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C24H27N3O2/c1-16(2)18-5-7-20(8-6-18)26-22-13-19(14-25-15-22)24(28)27-21-9-11-23(12-10-21)29-17(3)4/h5-17,26H,1-4H3,(H,27,28)
InChIKeyOSZAMTNPRHUEAW-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.99
Rot. Bonds7

About 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109243870) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109243870
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C24H27N3O2/c1-16(2)18-5-7-20(8-6-18)26-22-13-19(14-25-15-22)24(28)27-21-9-11-23(12-10-21)29-17(3)4/h5-17,26H,1-4H3,(H,27,28)
InChIKeyOSZAMTNPRHUEAW-UHFFFAOYSA-N
XLogP5.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
3-N-(2-methoxyethyl)-5-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109103509
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109243870) is 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)C)cc3)c2)cc1.
What is the InChIKey of 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is OSZAMTNPRHUEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16(2)18-5-7-20(8-6-18)26-22-13-19(14-25-15-22)24(28)27-21-9-11-23(12-10-21)29-17(3)4/h5-17,26H,1-4H3,(H,27,28).
What are the key properties of 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).