N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C17H16N2O2 — CID 66482247

IUPACN-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccncc2C#CCO)cc1
InChIInChI=1S/C17H16N2O2/c1-2-13-5-7-15(8-6-13)19-17(21)16-9-10-18-12-14(16)4-3-11-20/h5-10,12,20H,2,11H2,1H3,(H,19,21)
InChIKeyGUISNQUXHRZEMA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.24
Rot. Bonds3

About N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 66482247) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID66482247
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccncc2C#CCO)cc1
InChIInChI=1S/C17H16N2O2/c1-2-13-5-7-15(8-6-13)19-17(21)16-9-10-18-12-14(16)4-3-11-20/h5-10,12,20H,2,11H2,1H3,(H,19,21)
InChIKeyGUISNQUXHRZEMA-UHFFFAOYSA-N
XLogP2.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 66482247) is N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is CCc1ccc(NC(=O)c2ccncc2C#CCO)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is GUISNQUXHRZEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-13-5-7-15(8-6-13)19-17(21)16-9-10-18-12-14(16)4-3-11-20/h5-10,12,20H,2,11H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).