(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid

C19H14N2O4 — CID 10042490

IUPAC(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(-c2ccccc2)o1)NC(=O)c1cccnc1
InChIInChI=1S/C19H14N2O4/c22-18(14-7-4-10-20-12-14)21-16(19(23)24)11-15-8-9-17(25-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)/b16-11-
InChIKeyDZPCMUVKVUIFQW-WJDWOHSUSA-N
MW334.33 g/mol
LogP3.20
Rot. Bonds5

About (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid

(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid (PubChem CID 10042490) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid
PubChem CID10042490
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(-c2ccccc2)o1)NC(=O)c1cccnc1
InChIInChI=1S/C19H14N2O4/c22-18(14-7-4-10-20-12-14)21-16(19(23)24)11-15-8-9-17(25-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)/b16-11-
InChIKeyDZPCMUVKVUIFQW-WJDWOHSUSA-N
XLogP3.20
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid?
The IUPAC name of (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid (CID 10042490) is (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid is O=C(O)/C(=C/c1ccc(-c2ccccc2)o1)NC(=O)c1cccnc1.
What is the InChIKey of (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid?
The InChIKey is DZPCMUVKVUIFQW-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-18(14-7-4-10-20-12-14)21-16(19(23)24)11-15-8-9-17(25-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)/b16-11-.
What are the key properties of (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid?
(Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid has a molecular weight of 334.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-phenylfuran-2-yl)-2-(pyridine-3-carbonylamino)prop-2-enoic acid is sourced from PubChem (CID 10042490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).