5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide

C22H17FN4O — CID 109233513

IUPAC5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C22H17FN4O/c23-19-8-2-1-5-16(19)13-26-18-11-17(12-24-14-18)22(28)27-20-9-3-6-15-7-4-10-25-21(15)20/h1-12,14,26H,13H2,(H,27,28)
InChIKeyACGLAWNKRBEAEU-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.63
Rot. Bonds5

About 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide

5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109233513) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109233513
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C22H17FN4O/c23-19-8-2-1-5-16(19)13-26-18-11-17(12-24-14-18)22(28)27-20-9-3-6-15-7-4-10-25-21(15)20/h1-12,14,26H,13H2,(H,27,28)
InChIKeyACGLAWNKRBEAEU-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
methyl 3-[[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109233505
5-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109192303
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide (CID 109233513) is 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1cncc(NCc2ccccc2F)c1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is ACGLAWNKRBEAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-19-8-2-1-5-16(19)13-26-18-11-17(12-24-14-18)22(28)27-20-9-3-6-15-7-4-10-25-21(15)20/h1-12,14,26H,13H2,(H,27,28).
What are the key properties of 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide?
5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109233513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).