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

C21H19N3O4 — CID 76532197

IUPACN-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(=Cc2ccco2)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H19N3O4/c1-27-17-7-2-6-16(11-17)20(25)24-19(12-18-8-4-10-28-18)21(26)23-14-15-5-3-9-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyUGAQQWYVVFHIND-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.77
Rot. Bonds7

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

N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide (PubChem CID 76532197) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
PubChem CID76532197
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(=Cc2ccco2)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H19N3O4/c1-27-17-7-2-6-16(11-17)20(25)24-19(12-18-8-4-10-28-18)21(26)23-14-15-5-3-9-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyUGAQQWYVVFHIND-UHFFFAOYSA-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

N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 675144
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide
CID 57382769
2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 57382767
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100556742
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
4-methoxy-N-[(E)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2131950
N-[3-[(2,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599492
N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide
CID 103599539
N-[(Z)-1-(furan-2-yl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942587
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
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-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide (CID 76532197) is N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(=Cc2ccco2)C(=O)NCc2cccnc2)c1.
What is the InChIKey of N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide?
The InChIKey is UGAQQWYVVFHIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-17-7-2-6-16(11-17)20(25)24-19(12-18-8-4-10-28-18)21(26)23-14-15-5-3-9-22-13-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide?
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-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-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 76532197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).