3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide

C23H27N3O2 — CID 147821250

IUPAC3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
SMILESCc1cccc(C(=O)NC23CCCC(CC(=O)c4cncc(C)n4)(CC2)C3)c1
InChIInChI=1S/C23H27N3O2/c1-16-5-3-6-18(11-16)21(28)26-23-8-4-7-22(15-23,9-10-23)12-20(27)19-14-24-13-17(2)25-19/h3,5-6,11,13-14H,4,7-10,12,15H2,1-2H3,(H,26,28)
InChIKeyHPGZQMVKQFONTD-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.19
Rot. Bonds5

About 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide

3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide (PubChem CID 147821250) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
PubChem CID147821250
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
SMILESCc1cccc(C(=O)NC23CCCC(CC(=O)c4cncc(C)n4)(CC2)C3)c1
InChIInChI=1S/C23H27N3O2/c1-16-5-3-6-18(11-16)21(28)26-23-8-4-7-22(15-23,9-10-23)12-20(27)19-14-24-13-17(2)25-19/h3,5-6,11,13-14H,4,7-10,12,15H2,1-2H3,(H,26,28)
InChIKeyHPGZQMVKQFONTD-UHFFFAOYSA-N
XLogP4.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide with MolForge

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Related Compounds

6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
6-methyl-N-[5-[(5-methylpyridine-3-carbonyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70498464
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
CID 57406298
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
CID 70498375
ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
CID 67981106
6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497414
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
CID 142525007
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide?
The IUPAC name of 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide (CID 147821250) is 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide?
The canonical SMILES for 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide is Cc1cccc(C(=O)NC23CCCC(CC(=O)c4cncc(C)n4)(CC2)C3)c1.
What is the InChIKey of 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide?
The InChIKey is HPGZQMVKQFONTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-3-6-18(11-16)21(28)26-23-8-4-7-22(15-23,9-10-23)12-20(27)19-14-24-13-17(2)25-19/h3,5-6,11,13-14H,4,7-10,12,15H2,1-2H3,(H,26,28).
What are the key properties of 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide?
3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide is sourced from PubChem (CID 147821250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).