N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide

C24H40N2OSi — CID 155618825

IUPACN-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide
SMILESCC(C)CCC(CC#C[Si](C(C)C)(C(C)C)C(C)C)NC(=O)c1ccccn1
InChIInChI=1S/C24H40N2OSi/c1-18(2)14-15-22(26-24(27)23-13-9-10-16-25-23)12-11-17-28(19(3)4,20(5)6)21(7)8/h9-10,13,16,18-22H,12,14-15H2,1-8H3,(H,26,27)
InChIKeyWSGMDMNPXMDQIE-UHFFFAOYSA-N
MW400.68 g/mol
LogP6.23
Rot. Bonds9

About N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide

N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide (PubChem CID 155618825) has the molecular formula C24H40N2OSi and a molecular weight of 400.68 g/mol. Its IUPAC name is N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide
PubChem CID155618825
Molecular FormulaC24H40N2OSi
Molecular Weight400.68 g/mol
Exact Mass400.29
IUPAC NameN-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide
SMILESCC(C)CCC(CC#C[Si](C(C)C)(C(C)C)C(C)C)NC(=O)c1ccccn1
InChIInChI=1S/C24H40N2OSi/c1-18(2)14-15-22(26-24(27)23-13-9-10-16-25-23)12-11-17-28(19(3)4,20(5)6)21(7)8/h9-10,13,16,18-22H,12,14-15H2,1-8H3,(H,26,27)
InChIKeyWSGMDMNPXMDQIE-UHFFFAOYSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 56.23
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 N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]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

6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
CID 23316646
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide (CID 155618825) is N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide is CC(C)CCC(CC#C[Si](C(C)C)(C(C)C)C(C)C)NC(=O)c1ccccn1.
What is the InChIKey of N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide?
The InChIKey is WSGMDMNPXMDQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2OSi/c1-18(2)14-15-22(26-24(27)23-13-9-10-16-25-23)12-11-17-28(19(3)4,20(5)6)21(7)8/h9-10,13,16,18-22H,12,14-15H2,1-8H3,(H,26,27).
What are the key properties of N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide?
N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide has a molecular weight of 400.68 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155618825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).