2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide

C22H22FN3O — CID 109170654

IUPAC2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O/c23-20-10-8-18(9-11-20)16-26-21-15-19(12-14-24-21)22(27)25-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-12,14-15H,4,7,13,16H2,(H,24,26)(H,25,27)
InChIKeyHXSAVRYYCNGXKC-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.20
Rot. Bonds8

About 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide

2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 109170654) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
PubChem CID109170654
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O/c23-20-10-8-18(9-11-20)16-26-21-15-19(12-14-24-21)22(27)25-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-12,14-15H,4,7,13,16H2,(H,24,26)(H,25,27)
InChIKeyHXSAVRYYCNGXKC-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.20
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-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide (CID 109170654) is 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide is O=C(NCCCc1ccccc1)c1ccnc(NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is HXSAVRYYCNGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-20-10-8-18(9-11-20)16-26-21-15-19(12-14-24-21)22(27)25-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-12,14-15H,4,7,13,16H2,(H,24,26)(H,25,27).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).