3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide

C16H18FN3O — CID 155040377

IUPAC3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(CN)(C(=O)NCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-16(11-18,13-4-6-14(17)7-5-13)15(21)20-10-12-3-2-8-19-9-12/h2-9H,10-11,18H2,1H3,(H,20,21)
InChIKeyQWRPHEPAULDMOE-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.75
Rot. Bonds5

About 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide

3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 155040377) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID155040377
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(CN)(C(=O)NCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-16(11-18,13-4-6-14(17)7-5-13)15(21)20-10-12-3-2-8-19-9-12/h2-9H,10-11,18H2,1H3,(H,20,21)
InChIKeyQWRPHEPAULDMOE-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 659564

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 155040377) is 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide is CC(CN)(C(=O)NCc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QWRPHEPAULDMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-16(11-18,13-4-6-14(17)7-5-13)15(21)20-10-12-3-2-8-19-9-12/h2-9H,10-11,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 287.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 155040377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).