N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide

C13H12FN5O2 — CID 167496025

IUPACN-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnc(Oc2ncc(C)cc2N)cn1
InChIInChI=1S/C13H12FN5O2/c1-7-3-9(15)13(18-4-7)21-11-6-16-10(5-17-11)19-12(20)8(2)14/h3-6H,2,15H2,1H3,(H,16,19,20)
InChIKeyMTPOQBNQVUQLRV-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.98
Rot. Bonds4

About N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide

N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide (PubChem CID 167496025) has the molecular formula C13H12FN5O2 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide
PubChem CID167496025
Molecular FormulaC13H12FN5O2
Molecular Weight289.27 g/mol
Exact Mass289.10
IUPAC NameN-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnc(Oc2ncc(C)cc2N)cn1
InChIInChI=1S/C13H12FN5O2/c1-7-3-9(15)13(18-4-7)21-11-6-16-10(5-17-11)19-12(20)8(2)14/h3-6H,2,15H2,1H3,(H,16,19,20)
InChIKeyMTPOQBNQVUQLRV-UHFFFAOYSA-N
XLogP1.98
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide (CID 167496025) is N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide is C=C(F)C(=O)Nc1cnc(Oc2ncc(C)cc2N)cn1.
What is the InChIKey of N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide?
The InChIKey is MTPOQBNQVUQLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2/c1-7-3-9(15)13(18-4-7)21-11-6-16-10(5-17-11)19-12(20)8(2)14/h3-6H,2,15H2,1H3,(H,16,19,20).
What are the key properties of N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide?
N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide has a molecular weight of 289.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 167496025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).