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

C21H29N3O — CID 109217414

IUPACN-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29N3O/c1-15(2)10-12-22-18-11-13-23-19(14-18)20(25)24-17-8-6-16(7-9-17)21(3,4)5/h6-9,11,13-15H,10,12H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyZDQVELWHOCYDDO-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.09
Rot. Bonds6

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

N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109217414) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109217414
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(C)CCNc1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29N3O/c1-15(2)10-12-22-18-11-13-23-19(14-18)20(25)24-17-8-6-16(7-9-17)21(3,4)5/h6-9,11,13-15H,10,12H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyZDQVELWHOCYDDO-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

4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109175256
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203163
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217484
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296803
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide (CID 109217414) is N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide is CC(C)CCNc1ccnc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is ZDQVELWHOCYDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15(2)10-12-22-18-11-13-23-19(14-18)20(25)24-17-8-6-16(7-9-17)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)-4-(3-methylbutylamino)pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-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)-4-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109217414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).