N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide

C16H14N2O2S — CID 79214082

IUPACN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc(C#CCO)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-21-14-9-7-12(8-10-14)16(20)18-15-6-2-4-13(17-15)5-3-11-19/h2,4,6-10,19H,11H2,1H3,(H,17,18,20)
InChIKeyGCRSIWZTQCZYHM-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.40
Rot. Bonds3

About N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide (PubChem CID 79214082) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
PubChem CID79214082
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc(C#CCO)n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-21-14-9-7-12(8-10-14)16(20)18-15-6-2-4-13(17-15)5-3-11-19/h2,4,6-10,19H,11H2,1H3,(H,17,18,20)
InChIKeyGCRSIWZTQCZYHM-UHFFFAOYSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279
3-chloro-4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 82876344
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 102820800
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60802463
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60803494
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687
3-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-4-carboxamide
CID 64951684
5-ethyl-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 79096364
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804378
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
CID 62276510

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide (CID 79214082) is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cccc(C#CCO)n2)cc1.
What is the InChIKey of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide?
The InChIKey is GCRSIWZTQCZYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-21-14-9-7-12(8-10-14)16(20)18-15-6-2-4-13(17-15)5-3-11-19/h2,4,6-10,19H,11H2,1H3,(H,17,18,20).
What are the key properties of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide?
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide has a molecular weight of 298.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 79214082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).