5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide

C14H19N3O2 — CID 103946065

IUPAC5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-4-14(3,7-8-18)17-13(19)12-6-5-11(9-15)10(2)16-12/h5-6,18H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyUXNQNFFGEITIEY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds5

About 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide

5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide (PubChem CID 103946065) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
PubChem CID103946065
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-4-14(3,7-8-18)17-13(19)12-6-5-11(9-15)10(2)16-12/h5-6,18H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyUXNQNFFGEITIEY-UHFFFAOYSA-N
XLogP1.54
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
CID 96515487
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110002203
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945669
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide (CID 103946065) is 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide is CCC(C)(CCO)NC(=O)c1ccc(C#N)c(C)n1.
What is the InChIKey of 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is UXNQNFFGEITIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-14(3,7-8-18)17-13(19)12-6-5-11(9-15)10(2)16-12/h5-6,18H,4,7-8H2,1-3H3,(H,17,19).
What are the key properties of 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide?
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 103946065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).