5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide

C11H13N3O2 — CID 79031139

IUPAC5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)CO)ccc1C#N
InChIInChI=1S/C11H13N3O2/c1-7(6-15)13-11(16)10-4-3-9(5-12)8(2)14-10/h3-4,7,15H,6H2,1-2H3,(H,13,16)/t7-/m1/s1
InChIKeyQYIOXPYNJAKBEM-SSDOTTSWSA-N
MW219.24 g/mol
LogP0.37
Rot. Bonds3

About 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide

5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide (PubChem CID 79031139) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
PubChem CID79031139
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)CO)ccc1C#N
InChIInChI=1S/C11H13N3O2/c1-7(6-15)13-11(16)10-4-3-9(5-12)8(2)14-10/h3-4,7,15H,6H2,1-2H3,(H,13,16)/t7-/m1/s1
InChIKeyQYIOXPYNJAKBEM-SSDOTTSWSA-N
XLogP0.37
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide (CID 79031139) is 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)N[C@H](C)CO)ccc1C#N.
What is the InChIKey of 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is QYIOXPYNJAKBEM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(6-15)13-11(16)10-4-3-9(5-12)8(2)14-10/h3-4,7,15H,6H2,1-2H3,(H,13,16)/t7-/m1/s1.
What are the key properties of 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide?
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 79031139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).