N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide

C21H29N3O — CID 109161313

IUPACN-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C21H29N3O/c1-5-6-7-14-22-19-13-8-16(15-23-19)20(25)24-18-11-9-17(10-12-18)21(2,3)4/h8-13,15H,5-7,14H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyLTAJDYQYUJNHDF-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.23
Rot. Bonds7

About N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide

N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide (PubChem CID 109161313) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
PubChem CID109161313
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C21H29N3O/c1-5-6-7-14-22-19-13-8-16(15-23-19)20(25)24-18-11-9-17(10-12-18)21(2,3)4/h8-13,15H,5-7,14H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyLTAJDYQYUJNHDF-UHFFFAOYSA-N
XLogP5.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide (CID 109161313) is N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
The InChIKey is LTAJDYQYUJNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-6-7-14-22-19-13-8-16(15-23-19)20(25)24-18-11-9-17(10-12-18)21(2,3)4/h8-13,15H,5-7,14H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109161313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).