(2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one

C17H19ClN2O2 — CID 71000516

IUPAC(2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one
SMILESCC(C(O)c1ccccc1)[C@@](C)(N)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C17H19ClN2O2/c1-11(15(21)12-6-4-3-5-7-12)17(2,19)16(22)14-10-13(18)8-9-20-14/h3-11,15,21H,19H2,1-2H3/t11?,15?,17-/m1/s1
InChIKeyNGJGJPAUHDVILQ-VUWQGNQKSA-N
MW318.80 g/mol
LogP3.00
Rot. Bonds5

About (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one

(2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one (PubChem CID 71000516) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one
PubChem CID71000516
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one
SMILESCC(C(O)c1ccccc1)[C@@](C)(N)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C17H19ClN2O2/c1-11(15(21)12-6-4-3-5-7-12)17(2,19)16(22)14-10-13(18)8-9-20-14/h3-11,15,21H,19H2,1-2H3/t11?,15?,17-/m1/s1
InChIKeyNGJGJPAUHDVILQ-VUWQGNQKSA-N
XLogP3.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamic acid
CID 68589066
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
benzyl N-[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamate
CID 59135228
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
CID 18115585
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 86990770
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one (CID 71000516) is (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one is CC(C(O)c1ccccc1)[C@@](C)(N)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one?
The InChIKey is NGJGJPAUHDVILQ-VUWQGNQKSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11(15(21)12-6-4-3-5-7-12)17(2,19)16(22)14-10-13(18)8-9-20-14/h3-11,15,21H,19H2,1-2H3/t11?,15?,17-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one?
(2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one has a molecular weight of 318.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-chloro-2-pyridinyl)-4-hydroxy-2,3-dimethyl-4-phenylbutan-1-one is sourced from PubChem (CID 71000516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).