N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

C19H25N3O — CID 109225219

IUPACN-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25N3O/c1-6-15(5)21-19(23)16-9-17(11-20-10-16)22-18-13(3)7-12(2)8-14(18)4/h7-11,15,22H,6H2,1-5H3,(H,21,23)
InChIKeyARFLUEDIWUIJHQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.28
Rot. Bonds5

About N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (PubChem CID 109225219) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
PubChem CID109225219
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25N3O/c1-6-15(5)21-19(23)16-9-17(11-20-10-16)22-18-13(3)7-12(2)8-14(18)4/h7-11,15,22H,6H2,1-5H3,(H,21,23)
InChIKeyARFLUEDIWUIJHQ-UHFFFAOYSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
CID 109225275
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (CID 109225219) is N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The InChIKey is ARFLUEDIWUIJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-6-15(5)21-19(23)16-9-17(11-20-10-16)22-18-13(3)7-12(2)8-14(18)4/h7-11,15,22H,6H2,1-5H3,(H,21,23).
What are the key properties of N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109225219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).