(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide

C17H19N3O3 — CID 6724767

IUPAC(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESO=C(Cc1ccncc1)N[C@@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-12-15(17(23)19-11-14-4-2-1-3-5-14)20-16(22)10-13-6-8-18-9-7-13/h1-9,15,21H,10-12H2,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyYBJYCBPPELQMNV-HNNXBMFYSA-N
MW313.36 g/mol
LogP0.42
Rot. Bonds7

About (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide

(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide (PubChem CID 6724767) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
PubChem CID6724767
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESO=C(Cc1ccncc1)N[C@@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-12-15(17(23)19-11-14-4-2-1-3-5-14)20-16(22)10-13-6-8-18-9-7-13/h1-9,15,21H,10-12H2,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyYBJYCBPPELQMNV-HNNXBMFYSA-N
XLogP0.42
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
CID 4990311
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724762
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide (CID 6724767) is (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide is O=C(Cc1ccncc1)N[C@@H](CO)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The InChIKey is YBJYCBPPELQMNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-12-15(17(23)19-11-14-4-2-1-3-5-14)20-16(22)10-13-6-8-18-9-7-13/h1-9,15,21H,10-12H2,(H,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide has a molecular weight of 313.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide is sourced from PubChem (CID 6724767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).