3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide

C15H16FN3O — CID 39372159

IUPAC3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESNCCC(=O)N(Cc1ccccn1)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O/c16-12-4-3-6-14(10-12)19(15(20)7-8-17)11-13-5-1-2-9-18-13/h1-6,9-10H,7-8,11,17H2
InChIKeyPDWYDYKLVCYWLD-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.10
Rot. Bonds5

About 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide

3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 39372159) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID39372159
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESNCCC(=O)N(Cc1ccccn1)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O/c16-12-4-3-6-14(10-12)19(15(20)7-8-17)11-13-5-1-2-9-18-13/h1-6,9-10H,7-8,11,17H2
InChIKeyPDWYDYKLVCYWLD-UHFFFAOYSA-N
XLogP2.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 5017979
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
N-(1,3-benzothiazol-2-yl)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 56527894
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55889863
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide (CID 39372159) is 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide is NCCC(=O)N(Cc1ccccn1)c1cccc(F)c1.
What is the InChIKey of 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PDWYDYKLVCYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-4-3-6-14(10-12)19(15(20)7-8-17)11-13-5-1-2-9-18-13/h1-6,9-10H,7-8,11,17H2.
What are the key properties of 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide?
3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 273.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 39372159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).