6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide

C24H38N2OSi — CID 155618827

IUPAC6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCCC2C#C[Si](C(C)C)(C(C)C)C(C)C)n1
InChIInChI=1S/C24H38N2OSi/c1-17(2)28(18(3)4,19(5)6)16-15-21-12-8-9-13-22(21)26-24(27)23-14-10-11-20(7)25-23/h10-11,14,17-19,21-22H,8-9,12-13H2,1-7H3,(H,26,27)
InChIKeyZABXIWSGWZJEGQ-UHFFFAOYSA-N
MW398.67 g/mol
LogP5.90
Rot. Bonds5

About 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide

6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 155618827) has the molecular formula C24H38N2OSi and a molecular weight of 398.67 g/mol. Its IUPAC name is 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID155618827
Molecular FormulaC24H38N2OSi
Molecular Weight398.67 g/mol
Exact Mass398.28
IUPAC Name6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCCC2C#C[Si](C(C)C)(C(C)C)C(C)C)n1
InChIInChI=1S/C24H38N2OSi/c1-17(2)28(18(3)4,19(5)6)16-15-21-12-8-9-13-22(21)26-24(27)23-14-10-11-20(7)25-23/h10-11,14,17-19,21-22H,8-9,12-13H2,1-7H3,(H,26,27)
InChIKeyZABXIWSGWZJEGQ-UHFFFAOYSA-N
XLogP5.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
CID 62961274
N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
CID 155618824
N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
CID 155618819
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
6-methyl-N-propan-2-ylsulfonylpyridine-2-carboxamide
CID 122628419
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide (CID 155618827) is 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NC2CCCCC2C#C[Si](C(C)C)(C(C)C)C(C)C)n1.
What is the InChIKey of 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is ZABXIWSGWZJEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2OSi/c1-17(2)28(18(3)4,19(5)6)16-15-21-12-8-9-13-22(21)26-24(27)23-14-10-11-20(7)25-23/h10-11,14,17-19,21-22H,8-9,12-13H2,1-7H3,(H,26,27).
What are the key properties of 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 398.67 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 155618827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).