(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide

C17H19N3O3 — CID 29466251

IUPAC(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccccn2)NC(C)=O)cc1
InChIInChI=1S/C17H19N3O3/c1-12(21)19-15(13-6-8-14(23-2)9-7-13)11-17(22)20-16-5-3-4-10-18-16/h3-10,15H,11H2,1-2H3,(H,19,21)(H,18,20,22)/t15-/m0/s1
InChIKeyZAAZUOZRGCNZIV-HNNXBMFYSA-N
MW313.36 g/mol
LogP2.30
Rot. Bonds6

About (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide

(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide (PubChem CID 29466251) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
PubChem CID29466251
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccccn2)NC(C)=O)cc1
InChIInChI=1S/C17H19N3O3/c1-12(21)19-15(13-6-8-14(23-2)9-7-13)11-17(22)20-16-5-3-4-10-18-16/h3-10,15H,11H2,1-2H3,(H,19,21)(H,18,20,22)/t15-/m0/s1
InChIKeyZAAZUOZRGCNZIV-HNNXBMFYSA-N
XLogP2.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
CID 110676844
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 29482131
3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 78878766
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide (CID 29466251) is (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide is COc1ccc([C@H](CC(=O)Nc2ccccn2)NC(C)=O)cc1.
What is the InChIKey of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide?
The InChIKey is ZAAZUOZRGCNZIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(21)19-15(13-6-8-14(23-2)9-7-13)11-17(22)20-16-5-3-4-10-18-16/h3-10,15H,11H2,1-2H3,(H,19,21)(H,18,20,22)/t15-/m0/s1.
What are the key properties of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide?
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 29466251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).