5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide

C15H21N3O2 — CID 103843212

IUPAC5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(5-2,10-19)9-17-14(20)13-7-6-12(8-16)11(3)18-13/h6-7,19H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyDNRIOKHPYMNMIH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.79
Rot. Bonds6

About 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide

5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide (PubChem CID 103843212) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
PubChem CID103843212
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(5-2,10-19)9-17-14(20)13-7-6-12(8-16)11(3)18-13/h6-7,19H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyDNRIOKHPYMNMIH-UHFFFAOYSA-N
XLogP1.79
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
CID 96535435
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide (CID 103843212) is 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide is CCC(CC)(CO)CNC(=O)c1ccc(C#N)c(C)n1.
What is the InChIKey of 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide?
The InChIKey is DNRIOKHPYMNMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(5-2,10-19)9-17-14(20)13-7-6-12(8-16)11(3)18-13/h6-7,19H,4-5,9-10H2,1-3H3,(H,17,20).
What are the key properties of 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide?
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 103843212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).