N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide

C21H19N3O4 — CID 15945090

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-17-8-6-16(7-9-17)20(25)24-19(12-18-5-3-11-28-18)21(26)23-14-15-4-2-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b19-12-
InChIKeyOAKSSCDYYYXHCS-UNOMPAQXSA-N
MW377.40 g/mol
LogP2.77
Rot. Bonds7

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide (PubChem CID 15945090) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
PubChem CID15945090
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-17-8-6-16(7-9-17)20(25)24-19(12-18-5-3-11-28-18)21(26)23-14-15-4-2-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b19-12-
InChIKeyOAKSSCDYYYXHCS-UNOMPAQXSA-N
XLogP2.77
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.77
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 N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide (CID 15945090) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide?
The InChIKey is OAKSSCDYYYXHCS-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-17-8-6-16(7-9-17)20(25)24-19(12-18-5-3-11-28-18)21(26)23-14-15-4-2-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b19-12-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 15945090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).