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

C24H38N2OSi — CID 155618824

IUPACN-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
SMILESCC(C)[Si](C#CC1CCCCC(NC(=O)c2ccccn2)C1)(C(C)C)C(C)C
InChIInChI=1S/C24H38N2OSi/c1-18(2)28(19(3)4,20(5)6)16-14-21-11-7-8-12-22(17-21)26-24(27)23-13-9-10-15-25-23/h9-10,13,15,18-22H,7-8,11-12,17H2,1-6H3,(H,26,27)
InChIKeyYARNZYNTGNKPLX-UHFFFAOYSA-N
MW398.67 g/mol
LogP5.98
Rot. Bonds5

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

N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide (PubChem CID 155618824) has the molecular formula C24H38N2OSi and a molecular weight of 398.67 g/mol. Its IUPAC name is N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
PubChem CID155618824
Molecular FormulaC24H38N2OSi
Molecular Weight398.67 g/mol
Exact Mass398.28
IUPAC NameN-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
SMILESCC(C)[Si](C#CC1CCCCC(NC(=O)c2ccccn2)C1)(C(C)C)C(C)C
InChIInChI=1S/C24H38N2OSi/c1-18(2)28(19(3)4,20(5)6)16-14-21-11-7-8-12-22(17-21)26-24(27)23-13-9-10-15-25-23/h9-10,13,15,18-22H,7-8,11-12,17H2,1-6H3,(H,26,27)
InChIKeyYARNZYNTGNKPLX-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
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

N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
CID 155618819
3-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]pyridine-2-carboxamide
CID 155618832
1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
CID 155618833
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
CID 118894097
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide (CID 155618824) is N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide is CC(C)[Si](C#CC1CCCCC(NC(=O)c2ccccn2)C1)(C(C)C)C(C)C.
What is the InChIKey of N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide?
The InChIKey is YARNZYNTGNKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2OSi/c1-18(2)28(19(3)4,20(5)6)16-14-21-11-7-8-12-22(17-21)26-24(27)23-13-9-10-15-25-23/h9-10,13,15,18-22H,7-8,11-12,17H2,1-6H3,(H,26,27).
What are the key properties of N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide?
N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide has a molecular weight of 398.67 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide is sourced from PubChem (CID 155618824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).