N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide

C17H17N3O2 — CID 167496006

IUPACN-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc(Oc2ncc(C)cc2N)cc1
InChIInChI=1S/C17H17N3O2/c1-4-5-16(21)20(3)13-6-8-14(9-7-13)22-17-15(18)10-12(2)11-19-17/h6-11H,18H2,1-3H3
InChIKeyPOEITOVCADXUFM-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.75
Rot. Bonds3

About N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide

N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide (PubChem CID 167496006) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide.

Molecular Properties

Compound NameN-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide
PubChem CID167496006
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc(Oc2ncc(C)cc2N)cc1
InChIInChI=1S/C17H17N3O2/c1-4-5-16(21)20(3)13-6-8-14(9-7-13)22-17-15(18)10-12(2)11-19-17/h6-11H,18H2,1-3H3
InChIKeyPOEITOVCADXUFM-UHFFFAOYSA-N
XLogP2.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide?
The IUPAC name of N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide (CID 167496006) is N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide.
What is the SMILES notation for N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide?
The canonical SMILES for N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide is CC#CC(=O)N(C)c1ccc(Oc2ncc(C)cc2N)cc1.
What is the InChIKey of N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide?
The InChIKey is POEITOVCADXUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-5-16(21)20(3)13-6-8-14(9-7-13)22-17-15(18)10-12(2)11-19-17/h6-11H,18H2,1-3H3.
What are the key properties of N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide?
N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide has a molecular weight of 295.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide is sourced from PubChem (CID 167496006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).