4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

C20H26N4O — CID 141426147

IUPAC4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCC1=CN(C23CCCC(NC(=O)c4cc(C)ccn4)(CC2)C3)CC=N1
InChIInChI=1S/C20H26N4O/c1-15-4-9-22-17(12-15)18(25)23-19-5-3-6-20(14-19,8-7-19)24-11-10-21-16(2)13-24/h4,9-10,12-13H,3,5-8,11,14H2,1-2H3,(H,23,25)
InChIKeyYLHSJSLKVPCHCZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.21
Rot. Bonds3

About 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (PubChem CID 141426147) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
PubChem CID141426147
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCC1=CN(C23CCCC(NC(=O)c4cc(C)ccn4)(CC2)C3)CC=N1
InChIInChI=1S/C20H26N4O/c1-15-4-9-22-17(12-15)18(25)23-19-5-3-6-20(14-19,8-7-19)24-11-10-21-16(2)13-24/h4,9-10,12-13H,3,5-8,11,14H2,1-2H3,(H,23,25)
InChIKeyYLHSJSLKVPCHCZ-UHFFFAOYSA-N
XLogP3.21
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (CID 141426147) is 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is CC1=CN(C23CCCC(NC(=O)c4cc(C)ccn4)(CC2)C3)CC=N1.
What is the InChIKey of 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The InChIKey is YLHSJSLKVPCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-4-9-22-17(12-15)18(25)23-19-5-3-6-20(14-19,8-7-19)24-11-10-21-16(2)13-24/h4,9-10,12-13H,3,5-8,11,14H2,1-2H3,(H,23,25).
What are the key properties of 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is sourced from PubChem (CID 141426147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).