tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate

C16H25N3O3Se — CID 171564447

IUPACtert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESC[Se]c1cccnc1CNC(=O)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O3Se/c1-15(2,3)22-14(21)19-16(4,5)13(20)18-10-11-12(23-6)8-7-9-17-11/h7-9H,10H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyMNBQZXDQOIDNPX-UHFFFAOYSA-N
MW386.35 g/mol
LogP1.38
Rot. Bonds5

About tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 171564447) has the molecular formula C16H25N3O3Se and a molecular weight of 386.35 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID171564447
Molecular FormulaC16H25N3O3Se
Molecular Weight386.35 g/mol
Exact Mass387.11
IUPAC Nametert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESC[Se]c1cccnc1CNC(=O)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O3Se/c1-15(2,3)22-14(21)19-16(4,5)13(20)18-10-11-12(23-6)8-7-9-17-11/h7-9H,10H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyMNBQZXDQOIDNPX-UHFFFAOYSA-N
XLogP1.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid
CID 174235416
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
tert-butyl N-[(2-benzyl-3-pyridinyl)oxycarbonyl]carbamate
CID 84820138
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
tert-butyl N-[1-(3-iodo-2-pyridinyl)-2-methylpropan-2-yl]oxycarbonylcarbamate
CID 170962656
benzyl 8-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 10720248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate (CID 171564447) is tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate is C[Se]c1cccnc1CNC(=O)C(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is MNBQZXDQOIDNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3Se/c1-15(2,3)22-14(21)19-16(4,5)13(20)18-10-11-12(23-6)8-7-9-17-11/h7-9H,10H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 386.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 171564447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).