(E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one

C15H19N3O2 — CID 5467331

IUPAC(E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1cccc(C(=O)/C=C/N(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-17(2)10-8-14(19)12-6-5-7-13(16-12)15(20)9-11-18(3)4/h5-11H,1-4H3/b10-8+,11-9+
InChIKeySGWRTZRVJHNLMG-GFULKKFKSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds6

About (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one (PubChem CID 5467331) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
PubChem CID5467331
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1cccc(C(=O)/C=C/N(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-17(2)10-8-14(19)12-6-5-7-13(16-12)15(20)9-11-18(3)4/h5-11H,1-4H3/b10-8+,11-9+
InChIKeySGWRTZRVJHNLMG-GFULKKFKSA-N
XLogP1.60
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one (CID 5467331) is (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one is CN(C)/C=C/C(=O)c1cccc(C(=O)/C=C/N(C)C)n1.
What is the InChIKey of (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one?
The InChIKey is SGWRTZRVJHNLMG-GFULKKFKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17(2)10-8-14(19)12-6-5-7-13(16-12)15(20)9-11-18(3)4/h5-11H,1-4H3/b10-8+,11-9+.
What are the key properties of (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[6-[(E)-3-(dimethylamino)prop-2-enoyl]-2-pyridinyl]prop-2-en-1-one is sourced from PubChem (CID 5467331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).