N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide

C19H20N4O3 — CID 52950530

IUPACN-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CC(OCc3ccncc3)C2)cn1
InChIInChI=1S/C19H20N4O3/c1-14(24)22-18-4-2-15(10-21-18)3-5-19(25)23-11-17(12-23)26-13-16-6-8-20-9-7-16/h2-10,17H,11-13H2,1H3,(H,21,22,24)/b5-3+
InChIKeyDWDZGSBLDPOJOY-HWKANZROSA-N
MW352.39 g/mol
LogP1.88
Rot. Bonds6

About N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide

N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide (PubChem CID 52950530) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
PubChem CID52950530
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CC(OCc3ccncc3)C2)cn1
InChIInChI=1S/C19H20N4O3/c1-14(24)22-18-4-2-15(10-21-18)3-5-19(25)23-11-17(12-23)26-13-16-6-8-20-9-7-16/h2-10,17H,11-13H2,1H3,(H,21,22,24)/b5-3+
InChIKeyDWDZGSBLDPOJOY-HWKANZROSA-N
XLogP1.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.88
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 N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide (CID 52950530) is N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CC(OCc3ccncc3)C2)cn1.
What is the InChIKey of N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
The InChIKey is DWDZGSBLDPOJOY-HWKANZROSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14(24)22-18-4-2-15(10-21-18)3-5-19(25)23-11-17(12-23)26-13-16-6-8-20-9-7-16/h2-10,17H,11-13H2,1H3,(H,21,22,24)/b5-3+.
What are the key properties of N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-oxo-3-[3-(pyridin-4-ylmethoxy)azetidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 52950530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).