(E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide

C15H14N2O4 — CID 73297269

IUPAC(E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O3.C6H6N2O/c10-8-4-1-7(2-5-8)3-6-9(11)12;7-6(9)5-2-1-3-8-4-5/h1-6,10H,(H,11,12);1-4H,(H2,7,9)/b6-3+;
InChIKeySKXCERIYHDTUMJ-ZIKNSQGESA-N
MW286.29 g/mol
LogP1.67
Rot. Bonds3

About (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide

(E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide (PubChem CID 73297269) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide
PubChem CID73297269
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O3.C6H6N2O/c10-8-4-1-7(2-5-8)3-6-9(11)12;7-6(9)5-2-1-3-8-4-5/h1-6,10H,(H,11,12);1-4H,(H2,7,9)/b6-3+;
InChIKeySKXCERIYHDTUMJ-ZIKNSQGESA-N
XLogP1.67
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
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 (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide (CID 73297269) is (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide?
The InChIKey is SKXCERIYHDTUMJ-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H8O3.C6H6N2O/c10-8-4-1-7(2-5-8)3-6-9(11)12;7-6(9)5-2-1-3-8-4-5/h1-6,10H,(H,11,12);1-4H,(H2,7,9)/b6-3+;.
What are the key properties of (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide?
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)prop-2-enoic acid;pyridine-3-carboxamide is sourced from PubChem (CID 73297269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).