3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one

C18H21N5O2 — CID 118251210

IUPAC3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CCC)c2cc(-c3cnccn3)c[nH]c2=O)C1
InChIInChI=1S/C18H21N5O2/c1-3-7-23(14-11-22(12-14)17(24)4-2)16-8-13(9-21-18(16)25)15-10-19-5-6-20-15/h4-6,8-10,14H,2-3,7,11-12H2,1H3,(H,21,25)
InChIKeyCHBCAZLQVOURQV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.45
Rot. Bonds6

About 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one

3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one (PubChem CID 118251210) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one
PubChem CID118251210
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CCC)c2cc(-c3cnccn3)c[nH]c2=O)C1
InChIInChI=1S/C18H21N5O2/c1-3-7-23(14-11-22(12-14)17(24)4-2)16-8-13(9-21-18(16)25)15-10-19-5-6-20-15/h4-6,8-10,14H,2-3,7,11-12H2,1H3,(H,21,25)
InChIKeyCHBCAZLQVOURQV-UHFFFAOYSA-N
XLogP1.45
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one (CID 118251210) is 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one is C=CC(=O)N1CC(N(CCC)c2cc(-c3cnccn3)c[nH]c2=O)C1.
What is the InChIKey of 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one?
The InChIKey is CHBCAZLQVOURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-7-23(14-11-22(12-14)17(24)4-2)16-8-13(9-21-18(16)25)15-10-19-5-6-20-15/h4-6,8-10,14H,2-3,7,11-12H2,1H3,(H,21,25).
What are the key properties of 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one?
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 118251210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).