2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide

C16H19N3O3 — CID 712044

IUPAC2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1OC
InChIInChI=1S/C16H19N3O3/c1-9-7-10(2)18-16(14(9)15(17)20)19-11-5-6-12(21-3)13(8-11)22-4/h5-8H,1-4H3,(H2,17,20)(H,18,19)
InChIKeyIJFWNIHEWNVVEU-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.56
Rot. Bonds5

About 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide

2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 712044) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID712044
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1OC
InChIInChI=1S/C16H19N3O3/c1-9-7-10(2)18-16(14(9)15(17)20)19-11-5-6-12(21-3)13(8-11)22-4/h5-8H,1-4H3,(H2,17,20)(H,18,19)
InChIKeyIJFWNIHEWNVVEU-UHFFFAOYSA-N
XLogP2.56
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide (CID 712044) is 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide is COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is IJFWNIHEWNVVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-7-10(2)18-16(14(9)15(17)20)19-11-5-6-12(21-3)13(8-11)22-4/h5-8H,1-4H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide?
2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 712044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).