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

C17H16N2O2 — CID 107578107

IUPACN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#CCO)cc(NC(=O)c2ncccc2C)c1
InChIInChI=1S/C17H16N2O2/c1-12-9-14(6-4-8-20)11-15(10-12)19-17(21)16-13(2)5-3-7-18-16/h3,5,7,9-11,20H,8H2,1-2H3,(H,19,21)
InChIKeyIBLGWIDFVIBEAQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.29
Rot. Bonds2

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

N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide (PubChem CID 107578107) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide
PubChem CID107578107
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#CCO)cc(NC(=O)c2ncccc2C)c1
InChIInChI=1S/C17H16N2O2/c1-12-9-14(6-4-8-20)11-15(10-12)19-17(21)16-13(2)5-3-7-18-16/h3,5,7,9-11,20H,8H2,1-2H3,(H,19,21)
InChIKeyIBLGWIDFVIBEAQ-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.29
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-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide
CID 107578033
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1H-pyrrole-2-carboxamide
CID 107577901
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiadiazole-5-carboxamide
CID 107577931
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107577845
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 107577952
N-(4-fluoro-3-methylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107522279
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 107578036
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2,2-dimethylbutanamide
CID 107577873
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 107578023
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide (CID 107578107) is N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide is Cc1cc(C#CCO)cc(NC(=O)c2ncccc2C)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide?
The InChIKey is IBLGWIDFVIBEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-9-14(6-4-8-20)11-15(10-12)19-17(21)16-13(2)5-3-7-18-16/h3,5,7,9-11,20H,8H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 107578107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).