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

C17H16N2O2 — CID 82747563

IUPACN-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C#CCCO)c(NC(=O)c2ccccn2)c1
InChIInChI=1S/C17H16N2O2/c1-13-8-9-14(6-3-5-11-20)16(12-13)19-17(21)15-7-2-4-10-18-15/h2,4,7-10,12,20H,5,11H2,1H3,(H,19,21)
InChIKeyYUCALRGODKWIFR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds3

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

N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide (PubChem CID 82747563) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
PubChem CID82747563
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C#CCCO)c(NC(=O)c2ccccn2)c1
InChIInChI=1S/C17H16N2O2/c1-13-8-9-14(6-3-5-11-20)16(12-13)19-17(21)15-7-2-4-10-18-15/h2,4,7-10,12,20H,5,11H2,1H3,(H,19,21)
InChIKeyYUCALRGODKWIFR-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

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 82746553
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]cyclopropanecarboxamide
CID 82767048
N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 556133
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-1,2-oxazole-3-carboxamide
CID 82766056
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107974028
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 63079801
N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121232

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide (CID 82747563) is N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide is Cc1ccc(C#CCCO)c(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
The InChIKey is YUCALRGODKWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-8-9-14(6-3-5-11-20)16(12-13)19-17(21)15-7-2-4-10-18-15/h2,4,7-10,12,20H,5,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
N-[2-(4-hydroxybut-1-ynyl)-5-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 N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 82747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).