5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide

C17H16N2O2 — CID 62960232

IUPAC5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C#CCCO)cn2)cc1
InChIInChI=1S/C17H16N2O2/c1-13-5-8-15(9-6-13)19-17(21)16-10-7-14(12-18-16)4-2-3-11-20/h5-10,12,20H,3,11H2,1H3,(H,19,21)
InChIKeyLHUXEPHWFCGRCL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 62960232) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID62960232
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C#CCCO)cn2)cc1
InChIInChI=1S/C17H16N2O2/c1-13-5-8-15(9-6-13)19-17(21)16-10-7-14(12-18-16)4-2-3-11-20/h5-10,12,20H,3,11H2,1H3,(H,19,21)
InChIKeyLHUXEPHWFCGRCL-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
5-(4-hydroxybut-1-ynyl)-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62959332
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(4-hydroxybut-1-ynyl)-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116787521
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63960546
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
5-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 55152113

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 62960232) is 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C#CCCO)cn2)cc1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is LHUXEPHWFCGRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-5-8-15(9-6-13)19-17(21)16-10-7-14(12-18-16)4-2-3-11-20/h5-10,12,20H,3,11H2,1H3,(H,19,21).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62960232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).