5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide

C18H23N3O — CID 109224826

IUPAC5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)NCC(C)C)c1
InChIInChI=1S/C18H23N3O/c1-12(2)9-20-18(22)15-8-16(11-19-10-15)21-17-13(3)6-5-7-14(17)4/h5-8,10-12,21H,9H2,1-4H3,(H,20,22)
InChIKeyZDDOAYPYHYOYKO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.83
Rot. Bonds5

About 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide

5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109224826) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109224826
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1Nc1cncc(C(=O)NCC(C)C)c1
InChIInChI=1S/C18H23N3O/c1-12(2)9-20-18(22)15-8-16(11-19-10-15)21-17-13(3)6-5-7-14(17)4/h5-8,10-12,21H,9H2,1-4H3,(H,20,22)
InChIKeyZDDOAYPYHYOYKO-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225028
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109224826) is 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide is Cc1cccc(C)c1Nc1cncc(C(=O)NCC(C)C)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is ZDDOAYPYHYOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)9-20-18(22)15-8-16(11-19-10-15)21-17-13(3)6-5-7-14(17)4/h5-8,10-12,21H,9H2,1-4H3,(H,20,22).
What are the key properties of 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).