(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide

C21H27N3O3 — CID 100698551

IUPAC(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccncc1
InChIInChI=1S/C21H27N3O3/c1-2-6-19(24-20(26)14-16-7-4-3-5-8-16)21(27)23-18(15-25)13-17-9-11-22-12-10-17/h3-5,7-12,18-19,25H,2,6,13-15H2,1H3,(H,23,27)(H,24,26)/t18-,19+/m0/s1
InChIKeyADCRUDKYHKWCCA-RBUKOAKNSA-N
MW369.46 g/mol
LogP1.63
Rot. Bonds10

About (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide

(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide (PubChem CID 100698551) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
PubChem CID100698551
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccncc1
InChIInChI=1S/C21H27N3O3/c1-2-6-19(24-20(26)14-16-7-4-3-5-8-16)21(27)23-18(15-25)13-17-9-11-22-12-10-17/h3-5,7-12,18-19,25H,2,6,13-15H2,1H3,(H,23,27)(H,24,26)/t18-,19+/m0/s1
InChIKeyADCRUDKYHKWCCA-RBUKOAKNSA-N
XLogP1.63
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N-hexan-3-yl-2-phenylacetamide
CID 129166933
(2S)-3-hydroxy-N,N-dipropyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724746
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 95767147

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide?
The IUPAC name of (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide (CID 100698551) is (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide?
The canonical SMILES for (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide is CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccncc1.
What is the InChIKey of (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide?
The InChIKey is ADCRUDKYHKWCCA-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-6-19(24-20(26)14-16-7-4-3-5-8-16)21(27)23-18(15-25)13-17-9-11-22-12-10-17/h3-5,7-12,18-19,25H,2,6,13-15H2,1H3,(H,23,27)(H,24,26)/t18-,19+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide?
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide has a molecular weight of 369.46 g/mol, XLogP of 1.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide is sourced from PubChem (CID 100698551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).