3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide

C17H22N2O2 — CID 79360832

IUPAC3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
SMILESCC1(C)C(NC(=O)c2ccncc2C#CCCO)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-16(2)15(17(16,3)4)19-14(21)13-8-9-18-11-12(13)7-5-6-10-20/h8-9,11,15,20H,6,10H2,1-4H3,(H,19,21)
InChIKeySTQPNFQXDDXERK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds3

About 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide (PubChem CID 79360832) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
PubChem CID79360832
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
SMILESCC1(C)C(NC(=O)c2ccncc2C#CCCO)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-16(2)15(17(16,3)4)19-14(21)13-8-9-18-11-12(13)7-5-6-10-20/h8-9,11,15,20H,6,10H2,1-4H3,(H,19,21)
InChIKeySTQPNFQXDDXERK-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
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

N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 66484785
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
3-hydroxy-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 81443107
3-(4-hydroxybut-1-ynyl)-N-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 83016096
3-(4-hydroxybut-1-ynyl)-N-[(2-methylthiolan-2-yl)methyl]pyridine-4-carboxamide
CID 80743415
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 66482445
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
3-(4-hydroxybut-1-ynyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283690
3-(4-hydroxybut-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-4-carboxamide
CID 66483448

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide (CID 79360832) is 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide is CC1(C)C(NC(=O)c2ccncc2C#CCCO)C1(C)C.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is STQPNFQXDDXERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-16(2)15(17(16,3)4)19-14(21)13-8-9-18-11-12(13)7-5-6-10-20/h8-9,11,15,20H,6,10H2,1-4H3,(H,19,21).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 79360832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).