N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide

C16H17N3O3 — CID 141112111

IUPACN-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2cccnc2)c1O)C(N)=O
InChIInChI=1S/C16H17N3O3/c1-2-13(15(17)21)19-16(22)12-7-3-6-11(14(12)20)10-5-4-8-18-9-10/h3-9,13,20H,2H2,1H3,(H2,17,21)(H,19,22)/t13-/m1/s1
InChIKeySMKQPMRRHUVQJW-CYBMUJFWSA-N
MW299.33 g/mol
LogP1.45
Rot. Bonds5

About N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide

N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide (PubChem CID 141112111) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide
PubChem CID141112111
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2cccnc2)c1O)C(N)=O
InChIInChI=1S/C16H17N3O3/c1-2-13(15(17)21)19-16(22)12-7-3-6-11(14(12)20)10-5-4-8-18-9-10/h3-9,13,20H,2H2,1H3,(H2,17,21)(H,19,22)/t13-/m1/s1
InChIKeySMKQPMRRHUVQJW-CYBMUJFWSA-N
XLogP1.45
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxobutan-2-yl)-4-(2-pyridin-3-ylethynyl)benzamide
CID 171510007
N-(1-amino-1-sulfanylidenebutan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82829704
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
CID 175909349
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61121088
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2,3-dihydroxybenzamide
CID 103187229
(2S)-6-amino-2-[(3-pyridin-3-ylphenyl)methylamino]hexanamide
CID 91754956
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 70297294
3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
CID 174660376

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide (CID 141112111) is N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide is CC[C@@H](NC(=O)c1cccc(-c2cccnc2)c1O)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide?
The InChIKey is SMKQPMRRHUVQJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-13(15(17)21)19-16(22)12-7-3-6-11(14(12)20)10-5-4-8-18-9-10/h3-9,13,20H,2H2,1H3,(H2,17,21)(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide?
N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide has a molecular weight of 299.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 141112111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).