5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide

C16H19N3O2 — CID 107861835

IUPAC5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-15(8-13(17)9-18-11)16(21)19-14(10-20)7-12-5-3-2-4-6-12/h2-6,8-9,14,20H,7,10,17H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyCCLDNLFNJPLEOU-AWEZNQCLSA-N
MW285.35 g/mol
LogP1.31
Rot. Bonds5

About 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide

5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 107861835) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID107861835
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-15(8-13(17)9-18-11)16(21)19-14(10-20)7-12-5-3-2-4-6-12/h2-6,8-9,14,20H,7,10,17H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyCCLDNLFNJPLEOU-AWEZNQCLSA-N
XLogP1.31
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260701
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861126
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 61118673
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107861847
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide (CID 107861835) is 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is CCLDNLFNJPLEOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-15(8-13(17)9-18-11)16(21)19-14(10-20)7-12-5-3-2-4-6-12/h2-6,8-9,14,20H,7,10,17H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide?
5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 107861835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).