3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide

C17H16N2O2 — CID 81460917

IUPAC3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccn2)cc1C#CCO
InChIInChI=1S/C17H16N2O2/c1-13-7-8-15(11-14(13)5-4-10-20)17(21)19-12-16-6-2-3-9-18-16/h2-3,6-9,11,20H,10,12H2,1H3,(H,19,21)
InChIKeyGEFVVTBXYJPRRZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.66
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide

3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 81460917) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID81460917
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccn2)cc1C#CCO
InChIInChI=1S/C17H16N2O2/c1-13-7-8-15(11-14(13)5-4-10-20)17(21)19-12-16-6-2-3-9-18-16/h2-3,6-9,11,20H,10,12H2,1H3,(H,19,21)
InChIKeyGEFVVTBXYJPRRZ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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

3-(3-hydroxyprop-1-ynyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 63798846
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
3-(3-aminoprop-1-ynyl)-N-benzyl-4-methylbenzamide
CID 81458811
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 104764865
N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460232
3-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-4-methylbenzamide
CID 81458928
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 81460917) is 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2ccccn2)cc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is GEFVVTBXYJPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-8-15(11-14(13)5-4-10-20)17(21)19-12-16-6-2-3-9-18-16/h2-3,6-9,11,20H,10,12H2,1H3,(H,19,21).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 81460917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).