3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C15H20N4O2 — CID 83016096

IUPAC3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(NC(=O)c2ccncc2C#CCCO)CC1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)17-15(21)14-5-6-16-12-13(14)4-2-3-11-20/h5-6,12,20H,3,7-11H2,1H3,(H,17,21)
InChIKeyWYTCJZIMGNVPOE-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.29
Rot. Bonds3

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

3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 83016096) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID83016096
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(NC(=O)c2ccncc2C#CCCO)CC1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)17-15(21)14-5-6-16-12-13(14)4-2-3-11-20/h5-6,12,20H,3,7-11H2,1H3,(H,17,21)
InChIKeyWYTCJZIMGNVPOE-UHFFFAOYSA-N
XLogP-0.29
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.29
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-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 66482445
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 66482084
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 66483025
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 66483802
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66484039

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 83016096) is 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(NC(=O)c2ccncc2C#CCCO)CC1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is WYTCJZIMGNVPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)17-15(21)14-5-6-16-12-13(14)4-2-3-11-20/h5-6,12,20H,3,7-11H2,1H3,(H,17,21).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of -0.29, 3 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-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 83016096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).