6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

C23H25N3O — CID 71535582

IUPAC6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCc1cccc(C#CC23CCCC(NC(=O)c4cccc(C)n4)(CC2)C3)n1
InChIInChI=1S/C23H25N3O/c1-17-6-3-8-19(24-17)10-13-22-11-5-12-23(16-22,15-14-22)26-21(27)20-9-4-7-18(2)25-20/h3-4,6-9H,5,11-12,14-16H2,1-2H3,(H,26,27)
InChIKeyRNPFGHNHOLKEGZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.97
Rot. Bonds2

About 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (PubChem CID 71535582) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
PubChem CID71535582
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCc1cccc(C#CC23CCCC(NC(=O)c4cccc(C)n4)(CC2)C3)n1
InChIInChI=1S/C23H25N3O/c1-17-6-3-8-19(24-17)10-13-22-11-5-12-23(16-22,15-14-22)26-21(27)20-9-4-7-18(2)25-20/h3-4,6-9H,5,11-12,14-16H2,1-2H3,(H,26,27)
InChIKeyRNPFGHNHOLKEGZ-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
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 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (CID 71535582) is 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is Cc1cccc(C#CC23CCCC(NC(=O)c4cccc(C)n4)(CC2)C3)n1.
What is the InChIKey of 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The InChIKey is RNPFGHNHOLKEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-6-3-8-19(24-17)10-13-22-11-5-12-23(16-22,15-14-22)26-21(27)20-9-4-7-18(2)25-20/h3-4,6-9H,5,11-12,14-16H2,1-2H3,(H,26,27).
What are the key properties of 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is sourced from PubChem (CID 71535582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).