N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide

C16H20N2O2S — CID 83137597

IUPACN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1cccc(C#CCCO)n1
InChIInChI=1S/C16H20N2O2S/c19-9-2-1-4-14-5-3-6-15(17-14)18-16(20)12-13-7-10-21-11-8-13/h3,5-6,13,19H,2,7-12H2,(H,17,18,20)
InChIKeyOMBCAEHFAUPAQB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.29
Rot. Bonds4

About N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide (PubChem CID 83137597) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
PubChem CID83137597
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1cccc(C#CCCO)n1
InChIInChI=1S/C16H20N2O2S/c19-9-2-1-4-14-5-3-6-15(17-14)18-16(20)12-13-7-10-21-11-8-13/h3,5-6,13,19H,2,7-12H2,(H,17,18,20)
InChIKeyOMBCAEHFAUPAQB-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.29
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

1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
CID 62699691
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115700351
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
CID 83138086
1-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-propan-2-ylurea
CID 60812722
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803894
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]piperidine-1-carboxamide
CID 79155648
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
2-(3-ethoxycyclobutyl)-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]acetamide
CID 103165202
5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 60804070
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 106828195
4,5-dichloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 60804249

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide?
The IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide (CID 83137597) is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide?
The canonical SMILES for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)Nc1cccc(C#CCCO)n1.
What is the InChIKey of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide?
The InChIKey is OMBCAEHFAUPAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-9-2-1-4-14-5-3-6-15(17-14)18-16(20)12-13-7-10-21-11-8-13/h3,5-6,13,19H,2,7-12H2,(H,17,18,20).
What are the key properties of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide?
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83137597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).