N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide

C23H24FN3O — CID 109192324

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C23H24FN3O/c24-20-10-8-19(9-11-20)14-16-26-23(28)22-13-12-21(17-27-22)25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H,26,28)
InChIKeyRQBFSTNRNOKXQR-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.24
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109192324) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109192324
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C23H24FN3O/c24-20-10-8-19(9-11-20)14-16-26-23(28)22-13-12-21(17-27-22)25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H,26,28)
InChIKeyRQBFSTNRNOKXQR-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.24
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-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109192324) is N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is RQBFSTNRNOKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-20-10-8-19(9-11-20)14-16-26-23(28)22-13-12-21(17-27-22)25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,25H,4,7,14-16H2,(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109192324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).