N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

C21H20FN3O — CID 109194940

IUPACN-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C21H20FN3O/c22-17-9-4-10-18(14-17)25-21(26)20-12-11-19(15-24-20)23-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15,23H,5,8,13H2,(H,25,26)
InChIKeyFARBOJBKRCNHTI-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.52
Rot. Bonds7

About N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109194940) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109194940
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C21H20FN3O/c22-17-9-4-10-18(14-17)25-21(26)20-12-11-19(15-24-20)23-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15,23H,5,8,13H2,(H,25,26)
InChIKeyFARBOJBKRCNHTI-UHFFFAOYSA-N
XLogP4.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.52
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-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191938
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192588
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194887

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109194940) is N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is FARBOJBKRCNHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-17-9-4-10-18(14-17)25-21(26)20-12-11-19(15-24-20)23-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15,23H,5,8,13H2,(H,25,26).
What are the key properties of N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).