6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide

C22H26N4O2 — CID 70497797

IUPAC6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cncc(C)n4)(CC2)C3)c1
InChIInChI=1S/C22H26N4O2/c1-15-5-3-6-17(11-15)19(27)25-21-7-4-8-22(14-21,10-9-21)26-20(28)18-13-23-12-16(2)24-18/h3,5-6,11-13H,4,7-10,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMBZCCKMGCCLXFC-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.10
Rot. Bonds4

About 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide

6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (PubChem CID 70497797) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
PubChem CID70497797
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cncc(C)n4)(CC2)C3)c1
InChIInChI=1S/C22H26N4O2/c1-15-5-3-6-17(11-15)19(27)25-21-7-4-8-22(14-21,10-9-21)26-20(28)18-13-23-12-16(2)24-18/h3,5-6,11-13H,4,7-10,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMBZCCKMGCCLXFC-UHFFFAOYSA-N
XLogP3.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
CID 147821250
6-methyl-N-[5-[(5-methylpyridine-3-carbonyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70498464
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
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
6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 147325250
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
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
CID 70498375
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 123921285
N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide
CID 58358620

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (CID 70497797) is 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cncc(C)n4)(CC2)C3)c1.
What is the InChIKey of 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The InChIKey is MBZCCKMGCCLXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-5-3-6-17(11-15)19(27)25-21-7-4-8-22(14-21,10-9-21)26-20(28)18-13-23-12-16(2)24-18/h3,5-6,11-13H,4,7-10,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70497797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).