N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide

C13H19N3O2 — CID 144695687

IUPACN-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide
SMILESC=C(Nc1ccc(OC(C)(C)C)cn1)C(=O)NC
InChIInChI=1S/C13H19N3O2/c1-9(12(17)14-5)16-11-7-6-10(8-15-11)18-13(2,3)4/h6-8H,1H2,2-5H3,(H,14,17)(H,15,16)
InChIKeyVTDMZDQCXBKAAM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide

N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide (PubChem CID 144695687) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide
PubChem CID144695687
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide
SMILESC=C(Nc1ccc(OC(C)(C)C)cn1)C(=O)NC
InChIInChI=1S/C13H19N3O2/c1-9(12(17)14-5)16-11-7-6-10(8-15-11)18-13(2,3)4/h6-8H,1H2,2-5H3,(H,14,17)(H,15,16)
InChIKeyVTDMZDQCXBKAAM-UHFFFAOYSA-N
XLogP1.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide?
The IUPAC name of N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide (CID 144695687) is N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide.
What is the SMILES notation for N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide?
The canonical SMILES for N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide is C=C(Nc1ccc(OC(C)(C)C)cn1)C(=O)NC.
What is the InChIKey of N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide?
The InChIKey is VTDMZDQCXBKAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(12(17)14-5)16-11-7-6-10(8-15-11)18-13(2,3)4/h6-8H,1H2,2-5H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide?
N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]prop-2-enamide is sourced from PubChem (CID 144695687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).