N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane

C13H19N3O — CID 177246104

IUPACN-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane
SMILESCC.Cc1nc(C(=O)NC#N)ccc1C(C)C
InChIInChI=1S/C11H13N3O.C2H6/c1-7(2)9-4-5-10(14-8(9)3)11(15)13-6-12;1-2/h4-5,7H,1-3H3,(H,13,15);1-2H3
InChIKeyFBWLMRYHWQYGED-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.75
Rot. Bonds2

About N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane

N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane (PubChem CID 177246104) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane
PubChem CID177246104
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane
SMILESCC.Cc1nc(C(=O)NC#N)ccc1C(C)C
InChIInChI=1S/C11H13N3O.C2H6/c1-7(2)9-4-5-10(14-8(9)3)11(15)13-6-12;1-2/h4-5,7H,1-3H3,(H,13,15);1-2H3
InChIKeyFBWLMRYHWQYGED-UHFFFAOYSA-N
XLogP2.75
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethyl-5-pentan-2-ylpyridine-2-carboxamide
CID 170981331
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
CID 168957463
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine
CID 170581663
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861

Frequently Asked Questions

What is the IUPAC name of N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane?
The IUPAC name of N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane (CID 177246104) is N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane.
What is the SMILES notation for N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane?
The canonical SMILES for N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane is CC.Cc1nc(C(=O)NC#N)ccc1C(C)C.
What is the InChIKey of N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane?
The InChIKey is FBWLMRYHWQYGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C2H6/c1-7(2)9-4-5-10(14-8(9)3)11(15)13-6-12;1-2/h4-5,7H,1-3H3,(H,13,15);1-2H3.
What are the key properties of N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane?
N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane has a molecular weight of 233.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-6-methyl-5-propan-2-ylpyridine-2-carboxamide;ethane is sourced from PubChem (CID 177246104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).