N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H20N2O2 — CID 60803894

IUPACN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccc(C#CCCO)n1)C1CC2CCC1C2
InChIInChI=1S/C17H20N2O2/c20-9-2-1-4-14-5-3-6-16(18-14)19-17(21)15-11-12-7-8-13(15)10-12/h3,5-6,12-13,15,20H,2,7-11H2,(H,18,19,21)
InChIKeyULMCEZFEAOJWFX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds3

About N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 60803894) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID60803894
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccc(C#CCCO)n1)C1CC2CCC1C2
InChIInChI=1S/C17H20N2O2/c20-9-2-1-4-14-5-3-6-16(18-14)19-17(21)15-11-12-7-8-13(15)10-12/h3,5-6,12-13,15,20H,2,7-11H2,(H,18,19,21)
InChIKeyULMCEZFEAOJWFX-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 60803894) is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cccc(C#CCCO)n1)C1CC2CCC1C2.
What is the InChIKey of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ULMCEZFEAOJWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-9-2-1-4-14-5-3-6-16(18-14)19-17(21)15-11-12-7-8-13(15)10-12/h3,5-6,12-13,15,20H,2,7-11H2,(H,18,19,21).
What are the key properties of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.19, 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]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 60803894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).