N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

C14H16N2O2 — CID 66481893

IUPACN-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESO=C(NC1CCC1)c1ccncc1C#CCCO
InChIInChI=1S/C14H16N2O2/c17-9-2-1-4-11-10-15-8-7-13(11)14(18)16-12-5-3-6-12/h7-8,10,12,17H,2-3,5-6,9H2,(H,16,18)
InChIKeyCSXNQTRMLKRTNE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.10
Rot. Bonds3

About N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (PubChem CID 66481893) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
PubChem CID66481893
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESO=C(NC1CCC1)c1ccncc1C#CCCO
InChIInChI=1S/C14H16N2O2/c17-9-2-1-4-11-10-15-8-7-13(11)14(18)16-12-5-3-6-12/h7-8,10,12,17H,2-3,5-6,9H2,(H,16,18)
InChIKeyCSXNQTRMLKRTNE-UHFFFAOYSA-N
XLogP1.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
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-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 66483025
3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 83016096
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 66482445
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799359
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 66483802
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 66483654

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (CID 66481893) is N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is O=C(NC1CCC1)c1ccncc1C#CCCO.
What is the InChIKey of N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The InChIKey is CSXNQTRMLKRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-9-2-1-4-11-10-15-8-7-13(11)14(18)16-12-5-3-6-12/h7-8,10,12,17H,2-3,5-6,9H2,(H,16,18).
What are the key properties of N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66481893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).