N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide

C16H14N2O2 — CID 82766969

IUPACN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C#CCO)c(NC(=O)c2ccccn2)c1
InChIInChI=1S/C16H14N2O2/c1-12-7-8-13(5-4-10-19)15(11-12)18-16(20)14-6-2-3-9-17-14/h2-3,6-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyMBLJVUORCBQGLI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide (PubChem CID 82766969) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
PubChem CID82766969
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C#CCO)c(NC(=O)c2ccccn2)c1
InChIInChI=1S/C16H14N2O2/c1-12-7-8-13(5-4-10-19)15(11-12)18-16(20)14-6-2-3-9-17-14/h2-3,6-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyMBLJVUORCBQGLI-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.99
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-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82747563
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
2,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiophene-3-carboxamide
CID 107963956
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiadiazole-5-carboxamide
CID 82766896
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
N-(2-chlorophenyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111785
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60802619
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 82767195
N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 556133
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide (CID 82766969) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide is Cc1ccc(C#CCO)c(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
The InChIKey is MBLJVUORCBQGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-7-8-13(5-4-10-19)15(11-12)18-16(20)14-6-2-3-9-17-14/h2-3,6-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 82766969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).