5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide

C13H9ClN2O2S — CID 62276510

IUPAC5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClN2O2S/c14-11-7-6-10(19-11)13(18)16-12-5-1-3-9(15-12)4-2-8-17/h1,3,5-7,17H,8H2,(H,15,16,18)
InChIKeyLCXGWZZOQHAYRV-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.39
Rot. Bonds2

About 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide

5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 62276510) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID62276510
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClN2O2S/c14-11-7-6-10(19-11)13(18)16-12-5-1-3-9(15-12)4-2-8-17/h1,3,5-7,17H,8H2,(H,15,16,18)
InChIKeyLCXGWZZOQHAYRV-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.39
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-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
3-chloro-4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 82876344
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687
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]-1-methylpyrrole-2-carboxamide
CID 60803494
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 79214082
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
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]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide (CID 62276510) is 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1cccc(C#CCO)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is LCXGWZZOQHAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-11-7-6-10(19-11)13(18)16-12-5-1-3-9(15-12)4-2-8-17/h1,3,5-7,17H,8H2,(H,15,16,18).
What are the key properties of 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide?
5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 62276510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).