3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one

C19H20N4O3 — CID 118251021

IUPAC3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(c2cc(-c3cc[nH]c(=O)c3)c[nH]c2=O)C2CC2)C1
InChIInChI=1S/C19H20N4O3/c1-2-18(25)22-10-15(11-22)23(14-3-4-14)16-7-13(9-21-19(16)26)12-5-6-20-17(24)8-12/h2,5-9,14-15H,1,3-4,10-11H2,(H,20,24)(H,21,26)
InChIKeyIPKNWXKIFUOACC-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.10
Rot. Bonds5

About 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one

3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one (PubChem CID 118251021) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
PubChem CID118251021
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(c2cc(-c3cc[nH]c(=O)c3)c[nH]c2=O)C2CC2)C1
InChIInChI=1S/C19H20N4O3/c1-2-18(25)22-10-15(11-22)23(14-3-4-14)16-7-13(9-21-19(16)26)12-5-6-20-17(24)8-12/h2,5-9,14-15H,1,3-4,10-11H2,(H,20,24)(H,21,26)
InChIKeyIPKNWXKIFUOACC-UHFFFAOYSA-N
XLogP1.10
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.10
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 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one (CID 118251021) is 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one is C=CC(=O)N1CC(N(c2cc(-c3cc[nH]c(=O)c3)c[nH]c2=O)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is IPKNWXKIFUOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-18(25)22-10-15(11-22)23(14-3-4-14)16-7-13(9-21-19(16)26)12-5-6-20-17(24)8-12/h2,5-9,14-15H,1,3-4,10-11H2,(H,20,24)(H,21,26).
What are the key properties of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 352.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118251021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).