5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one

C19H22N4O3 — CID 118251400

IUPAC5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(C(C)Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1
InChIInChI=1S/C19H22N4O3/c1-4-18(24)23-10-14(11-23)12(2)22-17-7-13(9-21-19(17)25)16-8-15(26-3)5-6-20-16/h4-9,12,14,22H,1,10-11H2,2-3H3,(H,21,25)
InChIKeyMORMPTWRDQJQPD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds6

About 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one

5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one (PubChem CID 118251400) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
PubChem CID118251400
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(C(C)Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1
InChIInChI=1S/C19H22N4O3/c1-4-18(24)23-10-14(11-23)12(2)22-17-7-13(9-21-19(17)25)16-8-15(26-3)5-6-20-16/h4-9,12,14,22H,1,10-11H2,2-3H3,(H,21,25)
InChIKeyMORMPTWRDQJQPD-UHFFFAOYSA-N
XLogP1.89
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
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 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
The IUPAC name of 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one (CID 118251400) is 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one is C=CC(=O)N1CC(C(C)Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1.
What is the InChIKey of 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
The InChIKey is MORMPTWRDQJQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-18(24)23-10-14(11-23)12(2)22-17-7-13(9-21-19(17)25)16-8-15(26-3)5-6-20-16/h4-9,12,14,22H,1,10-11H2,2-3H3,(H,21,25).
What are the key properties of 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one is sourced from PubChem (CID 118251400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).