5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide

C16H15N3O2 — CID 63182583

IUPAC5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC(CO)c2ccccc2)ccc1C#N
InChIInChI=1S/C16H15N3O2/c1-11-13(9-17)7-8-14(18-11)16(21)19-15(10-20)12-5-3-2-4-6-12/h2-8,15,20H,10H2,1H3,(H,19,21)
InChIKeyCNFCUYNGWYWXAQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.73
Rot. Bonds4

About 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide

5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide (PubChem CID 63182583) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
PubChem CID63182583
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC(CO)c2ccccc2)ccc1C#N
InChIInChI=1S/C16H15N3O2/c1-11-13(9-17)7-8-14(18-11)16(21)19-15(10-20)12-5-3-2-4-6-12/h2-8,15,20H,10H2,1H3,(H,19,21)
InChIKeyCNFCUYNGWYWXAQ-UHFFFAOYSA-N
XLogP1.73
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide (CID 63182583) is 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC(CO)c2ccccc2)ccc1C#N.
What is the InChIKey of 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide?
The InChIKey is CNFCUYNGWYWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-13(9-17)7-8-14(18-11)16(21)19-15(10-20)12-5-3-2-4-6-12/h2-8,15,20H,10H2,1H3,(H,19,21).
What are the key properties of 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide?
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 63182583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).