5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide

C16H24N4O2 — CID 96535435

IUPAC5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
SMILESCCO[C@@H](CCN(C)C)CNC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C16H24N4O2/c1-5-22-14(8-9-20(3)4)11-18-16(21)15-7-6-13(10-17)12(2)19-15/h6-7,14H,5,8-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyLGAIHFQZWCZFBC-AWEZNQCLSA-N
MW304.39 g/mol
LogP1.35
Rot. Bonds8

About 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide

5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide (PubChem CID 96535435) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
PubChem CID96535435
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
SMILESCCO[C@@H](CCN(C)C)CNC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C16H24N4O2/c1-5-22-14(8-9-20(3)4)11-18-16(21)15-7-6-13(10-17)12(2)19-15/h6-7,14H,5,8-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyLGAIHFQZWCZFBC-AWEZNQCLSA-N
XLogP1.35
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 56784686
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
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-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-3-(4-propan-2-ylphenyl)urea
CID 96535755
ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
CID 61007860
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
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-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide (CID 96535435) is 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide is CCO[C@@H](CCN(C)C)CNC(=O)c1ccc(C#N)c(C)n1.
What is the InChIKey of 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide?
The InChIKey is LGAIHFQZWCZFBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-5-22-14(8-9-20(3)4)11-18-16(21)15-7-6-13(10-17)12(2)19-15/h6-7,14H,5,8-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide?
5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 96535435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).