(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide

C16H18N2O2 — CID 169192519

IUPAC(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(NCc1cccnc1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15(9-8-13-5-2-1-3-6-13)16(20)18-12-14-7-4-10-17-11-14/h1-7,10-11,15,19H,8-9,12H2,(H,18,20)/t15-/m0/s1
InChIKeyMEKQFBGEDSZUND-HNNXBMFYSA-N
MW270.33 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide

(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 169192519) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID169192519
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(NCc1cccnc1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15(9-8-13-5-2-1-3-6-13)16(20)18-12-14-7-4-10-17-11-14/h1-7,10-11,15,19H,8-9,12H2,(H,18,20)/t15-/m0/s1
InChIKeyMEKQFBGEDSZUND-HNNXBMFYSA-N
XLogP1.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
CID 20978769
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
N-benzyl-2-hydroxypentanamide
CID 141058656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide (CID 169192519) is (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide is O=C(NCc1cccnc1)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is MEKQFBGEDSZUND-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(9-8-13-5-2-1-3-6-13)16(20)18-12-14-7-4-10-17-11-14/h1-7,10-11,15,19H,8-9,12H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 270.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 169192519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).