[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid

C12H17N3O3Se — CID 174235416

IUPAC[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid
SMILESC[Se]c1cccnc1CNC(=O)C(C)(C)NC(=O)O
InChIInChI=1S/C12H17N3O3Se/c1-12(2,15-11(17)18)10(16)14-7-8-9(19-3)5-4-6-13-8/h4-6,15H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyYSLMMIKWTVVKLS-UHFFFAOYSA-N
MW330.25 g/mol
LogP0.12
Rot. Bonds5

About [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid

[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 174235416) has the molecular formula C12H17N3O3Se and a molecular weight of 330.25 g/mol. Its IUPAC name is [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid
PubChem CID174235416
Molecular FormulaC12H17N3O3Se
Molecular Weight330.25 g/mol
Exact Mass331.04
IUPAC Name[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid
SMILESC[Se]c1cccnc1CNC(=O)C(C)(C)NC(=O)O
InChIInChI=1S/C12H17N3O3Se/c1-12(2,15-11(17)18)10(16)14-7-8-9(19-3)5-4-6-13-8/h4-6,15H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyYSLMMIKWTVVKLS-UHFFFAOYSA-N
XLogP0.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamate
CID 171564447
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide
CID 165440257
2,2-dimethyl-4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301601
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
[3-(hydroxymethyl)-2-pyridinyl]methylcarbamic acid
CID 155209331
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
(3-propan-2-ylsulfonyl-2-pyridinyl)methylcarbamic acid
CID 69120624
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid (CID 174235416) is [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid is C[Se]c1cccnc1CNC(=O)C(C)(C)NC(=O)O.
What is the InChIKey of [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is YSLMMIKWTVVKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3Se/c1-12(2,15-11(17)18)10(16)14-7-8-9(19-3)5-4-6-13-8/h4-6,15H,7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid?
[2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 330.25 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(3-methylselanyl-2-pyridinyl)methylamino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 174235416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).