N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide

C17H22N2O2 — CID 106828195

IUPACN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(C#CCCO)n2)CCCCC1
InChIInChI=1S/C17H22N2O2/c1-17(11-4-2-5-12-17)16(21)19-15-10-7-9-14(18-15)8-3-6-13-20/h7,9-10,20H,2,4-6,11-13H2,1H3,(H,18,19,21)
InChIKeyKWHUUEXLWCTVCA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds3

About N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106828195) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106828195
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(C#CCCO)n2)CCCCC1
InChIInChI=1S/C17H22N2O2/c1-17(11-4-2-5-12-17)16(21)19-15-10-7-9-14(18-15)8-3-6-13-20/h7,9-10,20H,2,4-6,11-13H2,1H3,(H,18,19,21)
InChIKeyKWHUUEXLWCTVCA-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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-[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
1-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-propan-2-ylurea
CID 60812722
1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
CID 62699691
5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 60804070
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 103121241
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 83137597
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81269570
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803894
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79152659
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 60814440
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]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide (CID 106828195) is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cccc(C#CCCO)n2)CCCCC1.
What is the InChIKey of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is KWHUUEXLWCTVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(11-4-2-5-12-17)16(21)19-15-10-7-9-14(18-15)8-3-6-13-20/h7,9-10,20H,2,4-6,11-13H2,1H3,(H,18,19,21).
What are the key properties of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide?
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).