5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C23H25N3O3 — CID 109243833

IUPAC5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc(C(C)C)cc3)c2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-15(2)16-5-7-18(8-6-16)26-23(27)17-11-19(14-24-13-17)25-21-10-9-20(28-3)12-22(21)29-4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyQTNLYTRHDZLXJR-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.22
Rot. Bonds7

About 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109243833) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109243833
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc(C(C)C)cc3)c2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-15(2)16-5-7-18(8-6-16)26-23(27)17-11-19(14-24-13-17)25-21-10-9-20(28-3)12-22(21)29-4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyQTNLYTRHDZLXJR-UHFFFAOYSA-N
XLogP5.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243459
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
N-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245661
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
N-(2,4-dimethoxyphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245476
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
5-(2-chloroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244426
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109243833) is 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3ccc(C(C)C)cc3)c2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is QTNLYTRHDZLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)16-5-7-18(8-6-16)26-23(27)17-11-19(14-24-13-17)25-21-10-9-20(28-3)12-22(21)29-4/h5-15,25H,1-4H3,(H,26,27).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).