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

C16H19N3O2 — CID 61155412

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H19N3O2/c1-19(11-13-3-2-8-18-10-13)16(21)15(17)9-12-4-6-14(20)7-5-12/h2-8,10,15,20H,9,11,17H2,1H3/t15-/m0/s1
InChIKeyZZELPIQBFYMVSA-HNNXBMFYSA-N
MW285.35 g/mol
LogP1.32
Rot. Bonds5

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

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 61155412) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID61155412
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H19N3O2/c1-19(11-13-3-2-8-18-10-13)16(21)15(17)9-12-4-6-14(20)7-5-12/h2-8,10,15,20H,9,11,17H2,1H3/t15-/m0/s1
InChIKeyZZELPIQBFYMVSA-HNNXBMFYSA-N
XLogP1.32
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 77016051
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 61155412) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ZZELPIQBFYMVSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(11-13-3-2-8-18-10-13)16(21)15(17)9-12-4-6-14(20)7-5-12/h2-8,10,15,20H,9,11,17H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 61155412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).