3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one

C19H22N4O2 — CID 118250780

IUPAC3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC)c2cc(-c3ccnc(C)c3)c[nH]c2=O)C1
InChIInChI=1S/C19H22N4O2/c1-4-18(24)22-11-16(12-22)23(5-2)17-9-15(10-21-19(17)25)14-6-7-20-13(3)8-14/h4,6-10,16H,1,5,11-12H2,2-3H3,(H,21,25)
InChIKeyOGXNGGHZBLVRTJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.97
Rot. Bonds5

About 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one

3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one (PubChem CID 118250780) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one
PubChem CID118250780
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC)c2cc(-c3ccnc(C)c3)c[nH]c2=O)C1
InChIInChI=1S/C19H22N4O2/c1-4-18(24)22-11-16(12-22)23(5-2)17-9-15(10-21-19(17)25)14-6-7-20-13(3)8-14/h4,6-10,16H,1,5,11-12H2,2-3H3,(H,21,25)
InChIKeyOGXNGGHZBLVRTJ-UHFFFAOYSA-N
XLogP1.97
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
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-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one?
The IUPAC name of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one (CID 118250780) is 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one is C=CC(=O)N1CC(N(CC)c2cc(-c3ccnc(C)c3)c[nH]c2=O)C1.
What is the InChIKey of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one?
The InChIKey is OGXNGGHZBLVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-18(24)22-11-16(12-22)23(5-2)17-9-15(10-21-19(17)25)14-6-7-20-13(3)8-14/h4,6-10,16H,1,5,11-12H2,2-3H3,(H,21,25).
What are the key properties of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one?
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one is sourced from PubChem (CID 118250780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).