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

C17H16N2O2 — CID 60903757

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1ccccc1C#CCO
InChIInChI=1S/C17H16N2O2/c20-13-3-5-15-4-1-2-6-16(15)17(21)19-12-9-14-7-10-18-11-8-14/h1-2,4,6-8,10-11,20H,9,12-13H2,(H,19,21)
InChIKeyPXFVPYFLNVONLH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.40
Rot. Bonds4

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

2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 60903757) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID60903757
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1ccccc1C#CCO
InChIInChI=1S/C17H16N2O2/c20-13-3-5-15-4-1-2-6-16(15)17(21)19-12-9-14-7-10-18-11-8-14/h1-2,4,6-8,10-11,20H,9,12-13H2,(H,19,21)
InChIKeyPXFVPYFLNVONLH-UHFFFAOYSA-N
XLogP1.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.40
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

2-(3-hydroxyprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231168
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696892
2-(3-hydroxyprop-1-ynyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106041902
2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
2-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106342056
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
N-[2-(ethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 54921802

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide (CID 60903757) is 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is PXFVPYFLNVONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-13-3-5-15-4-1-2-6-16(15)17(21)19-12-9-14-7-10-18-11-8-14/h1-2,4,6-8,10-11,20H,9,12-13H2,(H,19,21).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60903757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).