N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide

C21H29N3O — CID 109195848

IUPACN-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C21H29N3O/c1-5-6-7-14-22-18-12-13-19(23-15-18)20(25)24-17-10-8-16(9-11-17)21(2,3)4/h8-13,15,22H,5-7,14H2,1-4H3,(H,24,25)
InChIKeyUFQPMKAJOYINSS-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.23
Rot. Bonds7

About N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide

N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195848) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195848
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C21H29N3O/c1-5-6-7-14-22-18-12-13-19(23-15-18)20(25)24-17-10-8-16(9-11-17)21(2,3)4/h8-13,15,22H,5-7,14H2,1-4H3,(H,24,25)
InChIKeyUFQPMKAJOYINSS-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-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide (CID 109195848) is N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is UFQPMKAJOYINSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-6-7-14-22-18-12-13-19(23-15-18)20(25)24-17-10-8-16(9-11-17)21(2,3)4/h8-13,15,22H,5-7,14H2,1-4H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-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)-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).