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

C21H19N3O4 — CID 57382769

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1cccnc1
InChIInChI=1S/C21H19N3O4/c1-27-19-9-3-2-8-17(19)20(25)24-18(12-16-7-5-11-28-16)21(26)23-14-15-6-4-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b18-12-
InChIKeyHEBYCUBGVIHGAV-PDGQHHTCSA-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]-2-methoxybenzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 57382769) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide
PubChem CID57382769
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]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1cccnc1
InChIInChI=1S/C21H19N3O4/c1-27-19-9-3-2-8-17(19)20(25)24-18(12-16-7-5-11-28-16)21(26)23-14-15-6-4-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b18-12-
InChIKeyHEBYCUBGVIHGAV-PDGQHHTCSA-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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Related Compounds

2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 57382767
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 675144
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
CID 76532197
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100556742
4-[[(E)-3-(furan-2-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoic acid
CID 2270500
4-methoxy-N-[(E)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2131950
N-[(E)-1-(4-bromophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 1352051
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
N-[3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 3350316
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100765648

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]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide (CID 57382769) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1cccnc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is HEBYCUBGVIHGAV-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-19-9-3-2-8-17(19)20(25)24-18(12-16-7-5-11-28-16)21(26)23-14-15-6-4-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b18-12-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 57382769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).