N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine

C19H35N3O5Si — CID 71286463

IUPACN-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCCCOC[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H35N3O5Si/c1-8-9-12-26-13-15(14-27-28(6,7)19(2,3)4)20-18-16(22(23)24)10-11-17(21-18)25-5/h10-11,15H,8-9,12-14H2,1-7H3,(H,20,21)/t15-/m0/s1
InChIKeyANHXSVPAJSYTQA-HNNXBMFYSA-N
MW413.59 g/mol
LogP4.62
Rot. Bonds12

About N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine

N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine (PubChem CID 71286463) has the molecular formula C19H35N3O5Si and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine
PubChem CID71286463
Molecular FormulaC19H35N3O5Si
Molecular Weight413.59 g/mol
Exact Mass413.23
IUPAC NameN-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCCCOC[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H35N3O5Si/c1-8-9-12-26-13-15(14-27-28(6,7)19(2,3)4)20-18-16(22(23)24)10-11-17(21-18)25-5/h10-11,15H,8-9,12-14H2,1-7H3,(H,20,21)/t15-/m0/s1
InChIKeyANHXSVPAJSYTQA-HNNXBMFYSA-N
XLogP4.62
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine (CID 71286463) is N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine is CCCCOC[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is ANHXSVPAJSYTQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H35N3O5Si/c1-8-9-12-26-13-15(14-27-28(6,7)19(2,3)4)20-18-16(22(23)24)10-11-17(21-18)25-5/h10-11,15H,8-9,12-14H2,1-7H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine?
N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 413.59 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-butoxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 71286463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).