N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

C23H24N4O2 — CID 109194935

IUPACN-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H24N4O2/c1-17(28)26-19-9-11-20(12-10-19)27-23(29)22-14-13-21(16-25-22)24-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16,24H,5,8,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLHUYTMWMZNLTJA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.34
Rot. Bonds8

About N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109194935) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109194935
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H24N4O2/c1-17(28)26-19-9-11-20(12-10-19)27-23(29)22-14-13-21(16-25-22)24-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16,24H,5,8,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLHUYTMWMZNLTJA-UHFFFAOYSA-N
XLogP4.34
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109194935) is N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(NCCCc3ccccc3)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is LHUYTMWMZNLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17(28)26-19-9-11-20(12-10-19)27-23(29)22-14-13-21(16-25-22)24-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16,24H,5,8,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).