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

C15H15N3O2S — CID 107522402

IUPAC3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nccs1)c1ncccc1C#CCCO
InChIInChI=1S/C15H15N3O2S/c19-10-2-1-4-12-5-3-7-17-14(12)15(20)18-8-6-13-16-9-11-21-13/h3,5,7,9,11,19H,2,6,8,10H2,(H,18,20)
InChIKeyPSMPCRHBCNSZSW-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.24
Rot. Bonds5

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

3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107522402) 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-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID107522402
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nccs1)c1ncccc1C#CCCO
InChIInChI=1S/C15H15N3O2S/c19-10-2-1-4-12-5-3-7-17-14(12)15(20)18-8-6-13-16-9-11-21-13/h3,5,7,9,11,19H,2,6,8,10H2,(H,18,20)
InChIKeyPSMPCRHBCNSZSW-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-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 63797533
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
N-(furan-3-ylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523249
3-(4-hydroxybut-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 63796971
3-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 106406691
3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 107522205

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (CID 107522402) is 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1nccs1)c1ncccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is PSMPCRHBCNSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-10-2-1-4-12-5-3-7-17-14(12)15(20)18-8-6-13-16-9-11-21-13/h3,5,7,9,11,19H,2,6,8,10H2,(H,18,20).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-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-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107522402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).