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

C18H21N3O3 — CID 6724745

IUPAC(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](CO)NC(=O)Cc1ccncc1
InChIInChI=1S/C18H21N3O3/c1-21(12-15-5-3-2-4-6-15)18(24)16(13-22)20-17(23)11-14-7-9-19-10-8-14/h2-10,16,22H,11-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyKWOKCGUEAFWOEA-INIZCTEOSA-N
MW327.38 g/mol
LogP0.76
Rot. Bonds7

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

(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide (PubChem CID 6724745) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
PubChem CID6724745
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](CO)NC(=O)Cc1ccncc1
InChIInChI=1S/C18H21N3O3/c1-21(12-15-5-3-2-4-6-15)18(24)16(13-22)20-17(23)11-14-7-9-19-10-8-14/h2-10,16,22H,11-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyKWOKCGUEAFWOEA-INIZCTEOSA-N
XLogP0.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-hydroxy-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 4174039
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724746
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
CID 108946043
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide (CID 6724745) is (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide is CN(Cc1ccccc1)C(=O)[C@H](CO)NC(=O)Cc1ccncc1.
What is the InChIKey of (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The InChIKey is KWOKCGUEAFWOEA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(12-15-5-3-2-4-6-15)18(24)16(13-22)20-17(23)11-14-7-9-19-10-8-14/h2-10,16,22H,11-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide has a molecular weight of 327.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide is sourced from PubChem (CID 6724745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).