5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

C19H25N3O — CID 109195520

IUPAC5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)NCCC(C)C)nc2)c1C
InChIInChI=1S/C19H25N3O/c1-13(2)10-11-20-19(23)18-9-8-16(12-21-18)22-17-7-5-6-14(3)15(17)4/h5-9,12-13,22H,10-11H2,1-4H3,(H,20,23)
InChIKeyXWWPKKLLMABIGF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.22
Rot. Bonds6

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

5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109195520) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109195520
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)NCCC(C)C)nc2)c1C
InChIInChI=1S/C19H25N3O/c1-13(2)10-11-20-19(23)18-9-8-16(12-21-18)22-17-7-5-6-14(3)15(17)4/h5-9,12-13,22H,10-11H2,1-4H3,(H,20,23)
InChIKeyXWWPKKLLMABIGF-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188286
N-cyclopropyl-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109179934
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109198338

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109195520) is 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is Cc1cccc(Nc2ccc(C(=O)NCCC(C)C)nc2)c1C.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is XWWPKKLLMABIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)10-11-20-19(23)18-9-8-16(12-21-18)22-17-7-5-6-14(3)15(17)4/h5-9,12-13,22H,10-11H2,1-4H3,(H,20,23).
What are the key properties of 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).