N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide

C21H29N3O — CID 109175256

IUPACN-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
SMILESCC(C)CCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1
InChIInChI=1S/C21H29N3O/c1-15(2)10-12-22-19-14-16(11-13-23-19)20(25)24-18-8-6-17(7-9-18)21(3,4)5/h6-9,11,13-15H,10,12H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyXEMGOJLBQBTCLK-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.09
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide

N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide (PubChem CID 109175256) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
PubChem CID109175256
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
SMILESCC(C)CCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1
InChIInChI=1S/C21H29N3O/c1-15(2)10-12-22-19-14-16(11-13-23-19)20(25)24-18-8-6-17(7-9-18)21(3,4)5/h6-9,11,13-15H,10,12H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyXEMGOJLBQBTCLK-UHFFFAOYSA-N
XLogP5.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
2-(ethylamino)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 62166650
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide (CID 109175256) is N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide is CC(C)CCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
The InChIKey is XEMGOJLBQBTCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15(2)10-12-22-19-14-16(11-13-23-19)20(25)24-18-8-6-17(7-9-18)21(3,4)5/h6-9,11,13-15H,10,12H2,1-5H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109175256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).