3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide

C22H32BrN5O2Si — CID 90377223

IUPAC3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)(C[C@@H]1CCCN(c2ccncc2NC(=O)c2nc(Br)ccc2N)C1)[Si](C)(C)O
InChIInChI=1S/C22H32BrN5O2Si/c1-22(2,31(3,4)30)12-15-6-5-11-28(14-15)18-9-10-25-13-17(18)26-21(29)20-16(24)7-8-19(23)27-20/h7-10,13,15,30H,5-6,11-12,14,24H2,1-4H3,(H,26,29)/t15-/m0/s1
InChIKeyRMAOBERPQQOVEB-HNNXBMFYSA-N
MW506.52 g/mol
LogP4.66
Rot. Bonds6

About 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide

3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 90377223) has the molecular formula C22H32BrN5O2Si and a molecular weight of 506.52 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID90377223
Molecular FormulaC22H32BrN5O2Si
Molecular Weight506.52 g/mol
Exact Mass505.15
IUPAC Name3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)(C[C@@H]1CCCN(c2ccncc2NC(=O)c2nc(Br)ccc2N)C1)[Si](C)(C)O
InChIInChI=1S/C22H32BrN5O2Si/c1-22(2,31(3,4)30)12-15-6-5-11-28(14-15)18-9-10-25-13-17(18)26-21(29)20-16(24)7-8-19(23)27-20/h7-10,13,15,30H,5-6,11-12,14,24H2,1-4H3,(H,26,29)/t15-/m0/s1
InChIKeyRMAOBERPQQOVEB-HNNXBMFYSA-N
XLogP4.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 90377223) is 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide is CC(C)(C[C@@H]1CCCN(c2ccncc2NC(=O)c2nc(Br)ccc2N)C1)[Si](C)(C)O.
What is the InChIKey of 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is RMAOBERPQQOVEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H32BrN5O2Si/c1-22(2,31(3,4)30)12-15-6-5-11-28(14-15)18-9-10-25-13-17(18)26-21(29)20-16(24)7-8-19(23)27-20/h7-10,13,15,30H,5-6,11-12,14,24H2,1-4H3,(H,26,29)/t15-/m0/s1.
What are the key properties of 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide?
3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 506.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[4-[(3S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 90377223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).