(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide

C17H20FN3O — CID 11543968

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
SMILESN[C@@H](CC(=O)NCCc1ccccn1)Cc1ccccc1F
InChIInChI=1S/C17H20FN3O/c18-16-7-2-1-5-13(16)11-14(19)12-17(22)21-10-8-15-6-3-4-9-20-15/h1-7,9,14H,8,10-12,19H2,(H,21,22)/t14-/m1/s1
InChIKeyYDJOCWNPNWSCAP-CQSZACIVSA-N
MW301.37 g/mol
LogP1.84
Rot. Bonds7

About (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 11543968) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID11543968
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
SMILESN[C@@H](CC(=O)NCCc1ccccn1)Cc1ccccc1F
InChIInChI=1S/C17H20FN3O/c18-16-7-2-1-5-13(16)11-14(19)12-17(22)21-10-8-15-6-3-4-9-20-15/h1-7,9,14H,8,10-12,19H2,(H,21,22)/t14-/m1/s1
InChIKeyYDJOCWNPNWSCAP-CQSZACIVSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 11551038
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 11537671
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide (CID 11543968) is (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide is N[C@@H](CC(=O)NCCc1ccccn1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is YDJOCWNPNWSCAP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-16-7-2-1-5-13(16)11-14(19)12-17(22)21-10-8-15-6-3-4-9-20-15/h1-7,9,14H,8,10-12,19H2,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 301.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 11543968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).