6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine

C23H34BrN5OSi — CID 89240880

IUPAC6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cnccc1N1CCCC(CC(C)(C)[Si](C)(C)O)C1)c1nc(Br)ccc1N
InChIInChI=1S/C23H34BrN5OSi/c1-16(22-18(25)8-9-21(24)28-22)27-19-14-26-11-10-20(19)29-12-6-7-17(15-29)13-23(2,3)31(4,5)30/h8-11,14,17,27,30H,1,6-7,12-13,15,25H2,2-5H3
InChIKeyVDSWTFRVSMOMSE-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.49
Rot. Bonds7

About 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine

6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine (PubChem CID 89240880) has the molecular formula C23H34BrN5OSi and a molecular weight of 504.55 g/mol. Its IUPAC name is 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine
PubChem CID89240880
Molecular FormulaC23H34BrN5OSi
Molecular Weight504.55 g/mol
Exact Mass503.17
IUPAC Name6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cnccc1N1CCCC(CC(C)(C)[Si](C)(C)O)C1)c1nc(Br)ccc1N
InChIInChI=1S/C23H34BrN5OSi/c1-16(22-18(25)8-9-21(24)28-22)27-19-14-26-11-10-20(19)29-12-6-7-17(15-29)13-23(2,3)31(4,5)30/h8-11,14,17,27,30H,1,6-7,12-13,15,25H2,2-5H3
InChIKeyVDSWTFRVSMOMSE-UHFFFAOYSA-N
XLogP5.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 90377223
[(3S,5R)-1-[3-[(3-amino-6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]carbamic acid
CID 88852829
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 25051457
6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419885
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
CID 72725607
tert-butyl N-[1-[3-[(6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 87669835
6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419838
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methylthiophen-2-yl)pyridine-2-carboxamide
CID 77420686
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 77420647
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide
CID 77420803
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 51001945
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine?
The IUPAC name of 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine (CID 89240880) is 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine is C=C(Nc1cnccc1N1CCCC(CC(C)(C)[Si](C)(C)O)C1)c1nc(Br)ccc1N.
What is the InChIKey of 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine?
The InChIKey is VDSWTFRVSMOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34BrN5OSi/c1-16(22-18(25)8-9-21(24)28-22)27-19-14-26-11-10-20(19)29-12-6-7-17(15-29)13-23(2,3)31(4,5)30/h8-11,14,17,27,30H,1,6-7,12-13,15,25H2,2-5H3.
What are the key properties of 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine?
6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine has a molecular weight of 504.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[1-[[4-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]amino]ethenyl]pyridin-3-amine is sourced from PubChem (CID 89240880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).