(2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide

C20H35ClN2O4Si — CID 59279502

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide
SMILESCC(C)[Si](OC[C@H](C)OC[C@H](O)C(=O)Nc1ccc(Cl)cn1)(C(C)C)C(C)C
InChIInChI=1S/C20H35ClN2O4Si/c1-13(2)28(14(3)4,15(5)6)27-11-16(7)26-12-18(24)20(25)23-19-9-8-17(21)10-22-19/h8-10,13-16,18,24H,11-12H2,1-7H3,(H,22,23,25)/t16-,18-/m0/s1
InChIKeySDGFTHLUCHJQJR-WMZOPIPTSA-N
MW431.05 g/mol
LogP4.63
Rot. Bonds11

About (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide (PubChem CID 59279502) has the molecular formula C20H35ClN2O4Si and a molecular weight of 431.05 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide
PubChem CID59279502
Molecular FormulaC20H35ClN2O4Si
Molecular Weight431.05 g/mol
Exact Mass430.21
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide
SMILESCC(C)[Si](OC[C@H](C)OC[C@H](O)C(=O)Nc1ccc(Cl)cn1)(C(C)C)C(C)C
InChIInChI=1S/C20H35ClN2O4Si/c1-13(2)28(14(3)4,15(5)6)27-11-16(7)26-12-18(24)20(25)23-19-9-8-17(21)10-22-19/h8-10,13-16,18,24H,11-12H2,1-7H3,(H,22,23,25)/t16-,18-/m0/s1
InChIKeySDGFTHLUCHJQJR-WMZOPIPTSA-N
XLogP4.63
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.05
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
CID 44996125
N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
CID 95161224
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide (CID 59279502) is (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide is CC(C)[Si](OC[C@H](C)OC[C@H](O)C(=O)Nc1ccc(Cl)cn1)(C(C)C)C(C)C.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide?
The InChIKey is SDGFTHLUCHJQJR-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H35ClN2O4Si/c1-13(2)28(14(3)4,15(5)6)27-11-16(7)26-12-18(24)20(25)23-19-9-8-17(21)10-22-19/h8-10,13-16,18,24H,11-12H2,1-7H3,(H,22,23,25)/t16-,18-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide has a molecular weight of 431.05 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-hydroxy-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxypropanamide is sourced from PubChem (CID 59279502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).