3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide

C24H38N2OSi — CID 155618832

IUPAC3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C24H38N2OSi/c1-17(2)28(18(3)4,19(5)6)15-13-21-11-8-12-22(16-21)26-24(27)23-20(7)10-9-14-25-23/h9-10,14,17-19,21-22H,8,11-12,16H2,1-7H3,(H,26,27)
InChIKeyPJSFRAQUTUBSAS-UHFFFAOYSA-N
MW398.67 g/mol
LogP5.90
Rot. Bonds5

About 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide

3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 155618832) has the molecular formula C24H38N2OSi and a molecular weight of 398.67 g/mol. Its IUPAC name is 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID155618832
Molecular FormulaC24H38N2OSi
Molecular Weight398.67 g/mol
Exact Mass398.28
IUPAC Name3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C24H38N2OSi/c1-17(2)28(18(3)4,19(5)6)15-13-21-11-8-12-22(16-21)26-24(27)23-20(7)10-9-14-25-23/h9-10,14,17-19,21-22H,8,11-12,16H2,1-7H3,(H,26,27)
InChIKeyPJSFRAQUTUBSAS-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'}

Analyze 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
CID 155618824
1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
CID 155618833
N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
CID 155618819
3-methyl-N-(2-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 106995373
N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
CID 113395039
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
CID 70845921
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-cyclopentyloxy-3-methylpyridine-2-carboxamide
CID 83202115
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-methylpyridine-2-carboxamide
CID 113290267
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide (CID 155618832) is 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide is Cc1cccnc1C(=O)NC1CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is PJSFRAQUTUBSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2OSi/c1-17(2)28(18(3)4,19(5)6)15-13-21-11-8-12-22(16-21)26-24(27)23-20(7)10-9-14-25-23/h9-10,14,17-19,21-22H,8,11-12,16H2,1-7H3,(H,26,27).
What are the key properties of 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide?
3-methyl-N-[3-[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 3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 155618832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).