3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide

C15H15N3O2S — CID 66483654

IUPAC3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cscn1)c1ccncc1C#CCCO
InChIInChI=1S/C15H15N3O2S/c19-8-2-1-3-12-9-16-6-5-14(12)15(20)17-7-4-13-10-21-11-18-13/h5-6,9-11,19H,2,4,7-8H2,(H,17,20)
InChIKeyBYYYWZRPTMJHAY-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.24
Rot. Bonds5

About 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 66483654) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID66483654
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cscn1)c1ccncc1C#CCCO
InChIInChI=1S/C15H15N3O2S/c19-8-2-1-3-12-9-16-6-5-14(12)15(20)17-7-4-13-10-21-11-18-13/h5-6,9-11,19H,2,4,7-8H2,(H,17,20)
InChIKeyBYYYWZRPTMJHAY-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 106240662
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106406611
3-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 66484279
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
3-(4-hydroxybut-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-4-carboxamide
CID 66483448
3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785
3-(3-aminoprop-1-ynyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 66484263
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide (CID 66483654) is 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1cscn1)c1ccncc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is BYYYWZRPTMJHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-8-2-1-3-12-9-16-6-5-14(12)15(20)17-7-4-13-10-21-11-18-13/h5-6,9-11,19H,2,4,7-8H2,(H,17,20).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).