N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide

C21H29N3O — CID 109239930

IUPACN-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29N3O/c1-15(2)10-11-23-19-12-16(13-22-14-19)20(25)24-18-8-6-17(7-9-18)21(3,4)5/h6-9,12-15,23H,10-11H2,1-5H3,(H,24,25)
InChIKeyGBYLJLXVCQVYEB-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.09
Rot. Bonds6

About N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide

N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109239930) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109239930
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29N3O/c1-15(2)10-11-23-19-12-16(13-22-14-19)20(25)24-18-8-6-17(7-9-18)21(3,4)5/h6-9,12-15,23H,10-11H2,1-5H3,(H,24,25)
InChIKeyGBYLJLXVCQVYEB-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-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109239926
N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109175256
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229662
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide (CID 109239930) is N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide is CC(C)CCNc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is GBYLJLXVCQVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15(2)10-11-23-19-12-16(13-22-14-19)20(25)24-18-8-6-17(7-9-18)21(3,4)5/h6-9,12-15,23H,10-11H2,1-5H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-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)-5-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).