N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide

C16H18FN3O — CID 109021011

IUPACN-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
SMILESO=C(CCNCc1cccnc1)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c17-15-5-3-13(4-6-15)12-20-16(21)7-9-19-11-14-2-1-8-18-10-14/h1-6,8,10,19H,7,9,11-12H2,(H,20,21)
InChIKeyIKPIGZIXTGZBQX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.02
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide

N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide (PubChem CID 109021011) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
PubChem CID109021011
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
SMILESO=C(CCNCc1cccnc1)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c17-15-5-3-13(4-6-15)12-20-16(21)7-9-19-11-14-2-1-8-18-10-14/h1-6,8,10,19H,7,9,11-12H2,(H,20,21)
InChIKeyIKPIGZIXTGZBQX-UHFFFAOYSA-N
XLogP2.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.02
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

3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119127097
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide (CID 109021011) is N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide is O=C(CCNCc1cccnc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is IKPIGZIXTGZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-15-5-3-13(4-6-15)12-20-16(21)7-9-19-11-14-2-1-8-18-10-14/h1-6,8,10,19H,7,9,11-12H2,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 287.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 109021011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).