N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide

C17H21N3O2 — CID 70196813

IUPACN-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide
SMILESCC(O)[C@@H](N)CNC(=O)Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C17H21N3O2/c1-12(21)15(18)11-20-17(22)10-13-5-4-6-14(9-13)16-7-2-3-8-19-16/h2-9,12,15,21H,10-11,18H2,1H3,(H,20,22)/t12?,15-/m0/s1
InChIKeyCEDVTDDSZAFPNR-CVRLYYSRSA-N
MW299.37 g/mol
LogP1.12
Rot. Bonds6

About N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide

N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide (PubChem CID 70196813) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide
PubChem CID70196813
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide
SMILESCC(O)[C@@H](N)CNC(=O)Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C17H21N3O2/c1-12(21)15(18)11-20-17(22)10-13-5-4-6-14(9-13)16-7-2-3-8-19-16/h2-9,12,15,21H,10-11,18H2,1H3,(H,20,22)/t12?,15-/m0/s1
InChIKeyCEDVTDDSZAFPNR-CVRLYYSRSA-N
XLogP1.12
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-3-hydroxy-1-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]butan-2-yl]carbamate
CID 70196744
tert-butyl N-[(2S)-3-hydroxy-4-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]butan-2-yl]carbamate
CID 59039001
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
CID 64540830
benzyl N-[(2S)-1-[[2-hydroxy-3-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]propyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 54505071
3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one
CID 91491784
N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]propyl]amino]pentan-2-yl]thiophene-2-carboxamide
CID 59918102
2-methyl-N-[(3-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 122602486
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide (CID 70196813) is N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide is CC(O)[C@@H](N)CNC(=O)Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide?
The InChIKey is CEDVTDDSZAFPNR-CVRLYYSRSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)15(18)11-20-17(22)10-13-5-4-6-14(9-13)16-7-2-3-8-19-16/h2-9,12,15,21H,10-11,18H2,1H3,(H,20,22)/t12?,15-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide?
N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 70196813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).