5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

C23H25N3O — CID 109191897

IUPAC5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C23H25N3O/c1-17(2)20-10-6-7-11-21(20)26-23(27)22-13-12-19(16-25-22)24-15-14-18-8-4-3-5-9-18/h3-13,16-17,24H,14-15H2,1-2H3,(H,26,27)
InChIKeyNRBQUWBPVRUEBT-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.11
Rot. Bonds7

About 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109191897) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109191897
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C23H25N3O/c1-17(2)20-10-6-7-11-21(20)26-23(27)22-13-12-19(16-25-22)24-15-14-18-8-4-3-5-9-18/h3-13,16-17,24H,14-15H2,1-2H3,(H,26,27)
InChIKeyNRBQUWBPVRUEBT-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109191897) is 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc(NCCc2ccccc2)cn1.
What is the InChIKey of 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is NRBQUWBPVRUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(2)20-10-6-7-11-21(20)26-23(27)22-13-12-19(16-25-22)24-15-14-18-8-4-3-5-9-18/h3-13,16-17,24H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).